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

Systemtic Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(3-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-benzimidazolylmethyl)-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(benzimidazol-1-ylmethyl)-2-keto-4-(3-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(=C(NC(=O)N2)CN3C=NC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C(=C(NC(=O)N2)CN3C=NC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H20N4O4/c1-28-14-7-5-6-13(10-14)19-18(20(26)29-2)16(23-21(27)24-19)11-25-12-22-15-8-3-4-9-17(15)25/h3-10,12,19H,11H2,1-2H3,(H2,23,24,27)/t19-/m0/s1