methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-benzimidazolylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CN3C=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)Cl)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H17ClN4O3/c1-28-19(26)17-15(10-25-11-22-14-4-2-3-5-16(14)25)23-20(27)24-18(17)12-6-8-13(21)9-7-12/h2-9,11,18H,10H2,1H3,(H2,23,24,27)/t18-/m0/s1