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

Systemtic Name: ethyl 6-[[4-azanyl-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-2-pyrimidinyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[4-amino-5-(4-chlorophenyl)-6-ethyl-pyrimidin-2-yl]thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)SCC2=C(CNC(=O)N2)C(=O)OCC)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=C(C(=NC(=N1)SCC2=C(CNC(=O)N2)C(=O)OCC)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN5O3S/c1-3-14-16(11-5-7-12(21)8-6-11)17(22)26-20(25-14)30-10-15-13(18(27)29-4-2)9-23-19(28)24-15/h5-8H,3-4,9-10H2,1-2H3,(H2,22,25,26)(H2,23,24,28)