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

Systemtic Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-methylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-2-oxo-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-benzimidazolylmethyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(benzimidazol-1-ylmethyl)-2-keto-4-(p-tolyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=O)N2)CN3C=NC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(NC(=O)N2)CN3C=NC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H20N4O3/c1-13-7-9-14(10-8-13)19-18(20(26)28-2)16(23-21(27)24-19)11-25-12-22-15-5-3-4-6-17(15)25/h3-10,12,19H,11H2,1-2H3,(H2,23,24,27)/t19-/m0/s1