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Pyrimidines and pyrimidine derivatives
Description:
Compounds containing a pyrimidne ring, which is a six-member aromatic heterocycle which consists of two nitrogen atoms (at positions 1 and 3) and four carbon atoms.
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N-(3-(Ethylsulfonyl)pyridin-2-yl)-4，6-dimethoxypyrimidin-2-amineCas Number: 151331-80-5Formula: C13H16N4O4S Molecular Weight: 324.36SMILES: CCS(=O)(=O)C1=C(N=CC=C1)NC2=NC(=CC(=N2)OC)OCInChIKey: AFOZBVKCZXHDER-UHFFFAOYSA-NInChI: InChI=1S/C13H16N4O4S/c1-4-22(18,19)9-6-5-7-14-12(9)17-13-15-10(20-2)8-11(16-13)21-3/h5-8H,4H2,1-3H3,(H,14,15,16,17) -
Cocarboxylase tetrahydrateCas Number: 68684-55-9 Compound CID: 45358321Formula: C12H18N4O7P2S•H2O Molecular Weight: 496.37IUPAC Name: [2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxy-hydroxyphosphoryl] hydrogen phosphate;tetrahydrateSMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)[O-].O.O.O.OInChIKey: KLOLNRGPRQYTIW-UHFFFAOYSA-NInChI: show more
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5-Chloropyrimidin-2-ol hydrochlorideCas Number: 42748-90-3 Compound CID: 12648523Formula: C4H4Cl2N2O Molecular Weight: 166.99IUPAC Name: 5-chloro-1H-pyrimidin-2-one;hydrochlorideSMILES: C1=C(C=NC(=O)N1)Cl.ClInChIKey: GRLWQORZOWPFCM-UHFFFAOYSA-NInChI: InChI=1S/C4H3ClN2O.ClH/c5-3-1-6-4(8)7-2-3;/h1-2H,(H,6,7,8);1H
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2，5-Diamino-4，6-dihydroxy-pyrimidineFormula: C4H6N4O2 Molecular Weight: 142.12IUPAC Name: 2,5-diamino-4-hydroxy-1H-pyrimidin-6-oneSMILES: C1(=C(N=C(NC1=O)N)O)NInChIKey: HWSJQFCTYLBBOF-UHFFFAOYSA-NInChI: InChI=1S/C4H6N4O2/c5-1-2(9)7-4(6)8-3(1)10/h5H2,(H4,6,7,8,9,10)
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2，4-Diamino-6-chloropyrimidine-5-carbonitrileCas Number: 900456-21-5 Compound CID: 86708021IUPAC Name: 2,4-diamino-6-chloropyrimidine-5-carbonitrileSMILES: C(#N)C1=C(N=C(N=C1Cl)N)NInChIKey: GHPANXXDQMHDBH-UHFFFAOYSA-NInChI: InChI=1S/C5H4ClN5/c6-3-2(1-7)4(8)11-5(9)10-3/h(H4,8,9,10,11)
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2-MERCAPTO-4-METHYLPYRIMIDINECas Number: 35071-17-1Formula: C5H6N2S Molecular Weight: 126.1795SMILES: CC1=CC=NC(=S)N1InChIKey: BVPHXTUEZOQIBS-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2S/c1-4-2-3-6-5(8)7-4/h2-3H,1H3,(H,6,7,8)
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2-Isopropyl-6-methyl-4-pyrimidoneFormula: C48H28O30 Molecular Weight: 1084.72IUPAC Name: 4-methyl-2-propan-2-yl-1H-pyrimidin-6-oneSMILES: CC1=CC(=O)NC(=N1)C(C)CInChIKey: AJPIUNPJBFBUKK-UHFFFAOYSA-NInChI: InChI=1S/C8H12N2O/c1-5(2)8-9-6(3)4-7(11)10-8/h4-5H,1-3H3,(H,9,10,11)
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2-Hydroxypyrimidine-5-carbaldehydeCas Number: 166757-62-6 Compound CID: 45080147Formula: C5H4N2O2 Molecular Weight: 124.1IUPAC Name: 2-oxo-1H-pyrimidine-5-carbaldehydeSMILES: C1=C(C=NC(=O)N1)C=OInChIKey: SXSQXMJTKWVULJ-UHFFFAOYSA-NInChI: InChI=1S/C5H4N2O2/c8-3-4-1-6-5(9)7-2-4/h1-3H,(H,6,7,9)
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ethyl 2-amino-6-methylpyrimidine-4-carboxylateCas Number: 857410-67-4Formula: C8H11N3O2 Molecular Weight: 181.19SMILES: CCOC(=O)C1=NC(=NC(=C1)C)NInChIKey: OGWOWURWQZDVMB-UHFFFAOYSA-NInChI: InChI=1S/C8H11N3O2/c1-3-13-7(12)6-4-5(2)10-8(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11)
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RosuvastatinCas Number: 287714-41-4 Compound CID: 446157Formula: C22H28FN3O6S Molecular Weight: 481.54IUPAC Name: (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acidSMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)CInChIKey: BPRHUIZQVSMCRT-VEUZHWNKSA-NInChI: show more
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Lithium2，6-dioxo-1，2，3，6-tetrahydropyrimidine-4-carboxylateCas Number: 5266-20-6 Compound CID: 23686432Formula: C5H3LiN2O4 Molecular Weight: 162.1IUPAC Name: lithium;2,4-dioxo-1H-pyrimidine-6-carboxylateSMILES: [Li+].C1=C(NC(=O)NC1=O)C(=O)[O-]InChIKey: IZJGDPULXXNWJP-UHFFFAOYSA-MInChI: InChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
