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Heterocyclic Building Blocks
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PD 98059 (DMSO solution)Cas Number: 167869-21-8Formula: C16H13NO3 Molecular Weight: 267.28IUPAC Name: 2-(2-amino-3-methoxyphenyl)chromen-4-oneSMILES: COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2InChIKey: QFWCYNPOPKQOKV-UHFFFAOYSA-NInChI: InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3Synonyms: PD 98059 | 2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one | 4H-1-Benzopyran-4-one, 2-(2-Amino-3-methoxyp
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2-(Pyridin-2-yl)propan-2-olCas Number: 37988-38-8 Compound CID: 2779146Formula: C8H11NO Molecular Weight: 137.18IUPAC Name: 2-pyridin-2-ylpropan-2-olSMILES: CC(C)(C1=CC=CC=N1)OInChIKey: LUZJNRNNOOBBDY-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO/c1-8(2,10)7-5-3-4-6-9-7/h3-6,10H,1-2H3Synonyms: LUZJNRNNOOBBDY-UHFFFAOYSA-N | W17538 | SY064823 | 1-Pyridyl-1,1-dimethylmethanol | 1-(2-pyridyl)-1,1-dimethylmethanol...
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4,4-dimethoxyoxan-3-oneCas Number: 693245-80-6Formula: C7H12O4 Molecular Weight: 160.17IUPAC Name: 4,4-dimethoxyoxan-3-oneSMILES: COC1(CCOCC1=O)OCInChIKey: VSYYQDBTLGSLRK-UHFFFAOYSA-NInChI: InChI=1S/C7H12O4/c1-9-7(10-2)3-4-11-5-6(7)8/h3-5H2,1-2H3Synonyms: 4,4-Dimethoxytetrahydropyran-3-one
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4,4-di（4H-1,2,4-triazol-4-yl）-1,1-biphenylCas Number: 2057437-56-4Formula: C16H12N6 Molecular Weight: 288.31IUPAC Name: 4-[4-[4-(1,2,4-triazol-4-yl)phenyl]phenyl]-1,2,4-triazoleSMILES: C1=CC(=CC=C1C2=CC=C(C=C2)N3C=NN=C3)N4C=NN=C4InChIKey: BBMVATNCFFPTEB-UHFFFAOYSA-NInChI: InChI=1S/C16H12N6/c1-5-15(21-9-17-18-10-21)6-2-13(1)14-3-7-16(8-4-14)22-11-19-20-12-22/h1-12HSynonyms: 4-[4-[4-(1,2,4-Triazol-4-yl)phenyl]phenyl]-1,2,4-triazole
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2-(Pyrrolidin-1-ylmethyl)anilineCas Number: 55727-59-8 Compound CID: 264311Formula: C11H16N2 Molecular Weight: 176.26IUPAC Name: 2-(pyrrolidin-1-ylmethyl)anilineSMILES: C1CCN(C1)CC2=CC=CC=C2NInChIKey: GWPIHNDIYNLVOT-UHFFFAOYSA-NInChI: InChI=1S/C11H16N2/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9,12H2Synonyms: 2-[(pyrrolidin-1-yl)methyl]aniline | EN300-39026 | 2-(Pyrrolidin-1-ylmethyl)aniline, AldrichCPR | GWPIHNDIYNLVOT-UHFF...
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Ethyl 2-(2-thienyl)thiazole-4-carboxylateCas Number: 24043-97-8Formula: C10H9NO2S2 Molecular Weight: 239.31IUPAC Name: ethyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylateSMILES: CCOC(=O)C1=CSC(=N1)C2=CC=CS2InChIKey: WACGLWUSWZXSBF-UHFFFAOYSA-NInChI: InChI=1S/C10H9NO2S2/c1-2-13-10(12)7-6-15-9(11-7)8-4-3-5-14-8/h3-6H,2H2,1H3Synonyms: A878040 | AKOS005070159 | D94819 | ethyl 2-(thiophen-2-yl)-1,3-thiazole-4-carboxylate | WACGLWUSWZXSBF-UHFFFAOYSA-N |...
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4-chloro-1,5-naphthyridineCas Number: 7689-63-6Formula: C8H5ClN2 Molecular Weight: 164.59IUPAC Name: 4-chloro-1,5-naphthyridineSMILES: C1=CC2=NC=CC(=C2N=C1)ClInChIKey: JECKUINVSSXFNR-UHFFFAOYSA-NInChI: InChI=1S/C8H5ClN2/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5HSynonyms: SY099516 | SB15636 | 4-Chloro-[1,5]naphthyridine | EN300-225589 | 4-Chloro-1,5-naphthyridine | DTXSID50344365 | SCHEM...
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Thiane-3-carboxylic acidCas Number: 161404-76-8 Compound CID: 19010951Formula: C6H10O2S Molecular Weight: 146.2IUPAC Name: thiane-3-carboxylic acidSMILES: C1CC(CSC1)C(=O)OInChIKey: DCMOTEAFHXHTAL-UHFFFAOYSA-NInChI: InChI=1S/C6H10O2S/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2,(H,7,8)Synonyms: MFCD14584577 | DTXSID10597370 | TETRAHYDROTHIOPYRAN-3-CARBOXYLIC ACID | 2H-Thiopyran-3-carboxylicacid,tetrahydro-(9CI...
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(R)-(1-Methylpiperidin-3-yl)methanolCas Number: 205194-11-2Formula: C7H15NO Molecular Weight: 129.20IUPAC Name: [(3R)-1-methylpiperidin-3-yl]methanolSMILES: CN1CCCC(C1)COInChIKey: UGXQXVDTGJCQHR-SSDOTTSWSA-NInChI: InChI=1S/C7H15NO/c1-8-4-2-3-7(5-8)6-9/h7,9H,2-6H2,1H3/t7-/m1/s1
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N,5-dimethoxy-N-methylnicotinamideCas Number: 1045855-73-9Formula: C9H12N2O3 Molecular Weight: 196.2IUPAC Name: N,5-dimethoxy-N-methylpyridine-3-carboxamideSMILES: CN(C(=O)C1=CC(=CN=C1)OC)OCInChIKey: WUSBOFJJDWHGCK-UHFFFAOYSA-NInChI: InChI=1S/C9H12N2O3/c1-11(14-3)9(12)7-4-8(13-2)6-10-5-7/h4-6H,1-3H3Synonyms: N,5-Dimethoxy-N-methylnicotinamide|1045855-73-9|N,5-dimethoxy-N-methylpyridine-3-carboxamide|DTXSID40670125|VRB85573|...
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HarpagideCas Number: 6926-08-5Formula: C15H24O10 Molecular Weight: 364.35IUPAC Name: (1S,4aS,5R,7S)-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4a,5,7-triolSMILES: CC1(CC(C2(C1C(OC=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)OInChIKey: XUWSHXDEJOOIND-ZATIHQEFSA-NInChI: show more
Synonyms: AS-56149 | AKOS016009011 | Harpagide | (1S,4aS,5R,7S)-7-Methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl... -
[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acidCas Number: 1043903-19-0Formula: C7H5N3O2 Molecular Weight: 163.13IUPAC Name: [1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acidSMILES: C1=CC2=NC=NN2C=C1C(=O)OInChIKey: YYUHEGMACRELPY-UHFFFAOYSA-NInChI: InChI=1S/C7H5N3O2/c11-7(12)5-1-2-6-8-4-9-10(6)3-5/h1-4H,(H,11,12)Synonyms: AS-42714 | A896235 | AKOS015919554 | EN300-1592151 | CS-0053022 | YYUHEGMACRELPY-UHFFFAOYSA-N | [1,2,4]triazolo[1,5-a...
