ethyl 6-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-amino-5-cyano-pyrimidin-2-yl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-amino-5-cyano-2-pyrimidinyl)thio]methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-amino-5-cyanopyrimidin-2-yl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(4-amino-5-cyano-pyrimidin-2-yl)thio]methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H17ClN6O3S MolecularWeight: 444.89468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C19H17ClN6O3S/c1-2-29-17(27)14-13(9-30-19-23-8-11(7-21)16(22)26-19)24-18(28)25-15(14)10-3-5-12(20)6-4-10/h3-6,8,15H,2,9H2,1H3,(H2,22,23,26)(H2,24,25,28)