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Blocs de construction hétérocycliques
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1-methyl-2-oxo-1，2-dihydropyridine-4-carboxylicacidCas Number: 33972-97-3Formula: C7H7NO3 Poids moléculaire: 153.135Nom IUPAC: 1-methyl-2-oxopyridine-4-carboxylic acidSMILES: CN1C=CC(=CC1=O)C(=O)OInChIKey: XUKWOJNDLIOXSC-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)Synonymes: DTXSID20356132 | CS-W018078 | BB 0237061 | MFCD03701415 | J-504913 | 1-methylpyrid-2-one-4-carboxylic acid | AMY12074...
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RutaecarpineCas Number: 84-26-4 Compound CID: 65752Formula: C18H13N3O Poids moléculaire: 287.32Nom IUPAC: 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-oneSMILES: C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4InChIKey: ACVGWSKVRYFWRP-UHFFFAOYSA-NInChI: InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2Synonymes: C18H13N3O | SMR001230721 | RUTECARPINE [MI] | Indolo[2',4]pyrido[2,1-b]quinazolin-5(7H)-one, 8,13-dihydro- | Rutaecar...
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[(3R)-1-methylpyrrolidin-3-yl]methanolCas Number: 1210935-33-3 Compound CID: 36689504Formula: C6H13NO Poids moléculaire: 115.176Nom IUPAC: [(3R)-1-methylpyrrolidin-3-yl]methanolSMILES: CN1CCC(C1)COInChIKey: NPWMWLAPRVMNBN-ZCFIWIBFSA-NInChI: InChI=1S/C6H13NO/c1-7-3-2-6(4-7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1Synonymes: (R)-(1-Methyl-pyrrolidin-3-yl)-methanol | (R)-(1-Methylpyrrolidin-3-yl)methanol | (3R)-1-Methyl-3-Pyrrolidinemethanol...
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Quinoxaline-5-carboxylic acidCas Number: 6924-66-9 Compound CID: 776833Formula: C9H6N2O2 Poids moléculaire: 174.16Nom IUPAC: quinoxaline-5-carboxylic acidSMILES: C1=CC(=C2C(=C1)N=CC=N2)C(=O)OInChIKey: QLZNISOPACYKOR-UHFFFAOYSA-NInChI: InChI=1S/C9H6N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,(H,12,13)Synonymes: CS-W022952 | AMY14070 | FT-0647246 | VU0085233-3 | AKOS000270304 | BB 0253150 | SCHEMBL950048 | QUINOXALINE-5-CARBOXY...
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Furamidine dihydrochlorideCas Number: 55368-40-6 Compound CID: 9799856Formula: C18H16N4O · 2HCl Poids moléculaire: 377.27Nom IUPAC: 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochlorideSMILES: C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl.ClInChIKey: VXNYQUQHOUERTR-UHFFFAOYSA-NInChI: InChI=1S/C18H16N4O.2ClH/c19-17(20)13-5-1-11(2-6-13)15-9-10-16(23-15)12-3-7-14(8-4-12)18(21)22;;/h1-10H,(H3,19,20)(H3,21,22);2*1HSynonymes: DB 75 | DB75 | NSC 305831 | WR199385 | 4-[5-(4-carbamimidoylphenyl)furan-2-yl]benzenecarboximidamide;dihydrochloride ...
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Folic acidCas Number: 59-30-3Formula: C19H19N7O6 Poids moléculaire: 441.4Nom IUPAC: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acidSMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)NInChIKey: OVBPIULPVIDEAO-LBPRGKRZSA-NInChI: show more
Synonymes: .beta.-D-Allopyranose, 1,6-anhydro-2,3-di-O-methyl-4-O-(phenylmethyl)- | CHEBI:27470 | DTXCID102519 | Foldine (France... -
5-Amino-tetrazole-monohydrateCas Number: 15454-54-3 Compound CID: 12211273Formula: CH3N5 · H2O Poids moléculaire: 103.08Nom IUPAC: 2H-tetrazol-5-amine;hydrateSMILES: C1(=NNN=N1)N.OInChIKey: JVSMPWHQUPKRNV-UHFFFAOYSA-NInChI: InChI=1S/CH3N5.H2O/c2-1-3-5-6-4-1;/h(H3,2,3,4,5,6);1H2Synonymes: CH5N5O | NSC 83799 | NSC-84239 | SCHEMBL808521 | JVSMPWHQUPKRNV-UHFFFAOYSA-N | MFCD00149327 | 5-Aminotetrazole hydrat...
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3-Fluoro-4-(piperidin-3-yl)pyridine dihydrochlorideCas Number: 1260645-80-4 Compound CID: 135393407Formula: C10H15Cl2FN2 Poids moléculaire: 253.14Nom IUPAC: 3-fluoro-4-piperidin-3-ylpyridine;dihydrochlorideSMILES: C1CC(CNC1)C2=C(C=NC=C2)F.Cl.ClInChIKey: ZNBYPLGGAITAKE-UHFFFAOYSA-NInChI: InChI=1S/C10H13FN2.2ClH/c11-10-7-13-5-3-9(10)8-2-1-4-12-6-8;;/h3,5,7-8,12H,1-2,4,6H2;2*1H
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2-Aminothiazole-5-carbonitrileCas Number: 51640-52-9 Compound CID: 10057507Formula: C4H3N3S Poids moléculaire: 125.15Nom IUPAC: 2-amino-1,3-thiazole-5-carbonitrileSMILES: C1=C(SC(=N1)N)C#NInChIKey: YJTBHWXNEMGNDC-UHFFFAOYSA-NInChI: InChI=1S/C4H3N3S/c5-1-3-2-7-4(6)8-3/h2H,(H2,6,7)Synonymes: 2-Aminothiazole-5-carbonitrile|51640-52-9|2-amino-1,3-thiazole-5-carbonitrile|2-AMINO-5-CYANOTHIAZOLE|CHEMBL5203747|M...
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1-TosylpyrozoleCas Number: 6126-10-9 Compound CID: 320750Formula: C10H10N2O2S Poids moléculaire: 222.26Nom IUPAC: 1-(4-methylphenyl)sulfonylpyrazoleSMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=N2InChIKey: XDFZXGSBGXAPLS-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11-12/h2-8H,1H3Synonymes: 1-(4-Toluenesulfonyl)pyrazole | NSC269428 | NSC-269428 | 1-TOSYLPYRAZOLE | A918497 | STK432193 | AC-13671 | XDFZXGSBG...
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2-BenzothiazoleacetonitrileCas Number: 56278-50-3Formula: C9H6N2S Poids moléculaire: 174.22Nom IUPAC: 2-(1,3-benzothiazol-2-yl)acetonitrileSMILES: C1=CC=C2C(=C1)N=C(S2)CC#NInChIKey: ZMZSYUSDGRJZNT-UHFFFAOYSA-NInChI: InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2Synonymes: Maybridge1_003801 | 2-(1,3-benzothiazol-2-yl)acetonitrile | 2-(benzo[d]thiazol-2-yl)acetonitrile | FS-2251 | 2-cyanom...
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3,4-Dihydro-2(1H)-quinolinoneCas Number: 553-03-7Formula: C9H9NO Poids moléculaire: 147.18Nom IUPAC: 3,4-dihydro-1H-quinolin-2-oneSMILES: C1CC(=O)NC2=CC=CC=C21InChIKey: TZOYXRMEFDYWDQ-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H,5-6H2,(H,10,11)Synonymes: 2-Oxo-1,3,4-tetrahydroquinoline | 2(1H)-Quinolinone, 3,4-dihydro- | STR08974 | 3,4-Dihydro-2(1H)quinolinone | 3,4-Dih...
