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

Systemtic Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-benzimidazolylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(benzimidazol-1-ylmethyl)-4-(3,4-dimethoxyphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O5/c1-29-17-9-8-13(10-18(17)30-2)20-19(21(27)31-3)15(24-22(28)25-20)11-26-12-23-14-6-4-5-7-16(14)26/h4-10,12,20H,11H2,1-3H3,(H2,24,25,28)/t20-/m0/s1