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

Systemtic Name: ethyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(2-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-benzimidazolylmethyl)-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(benzimidazol-1-ylmethyl)-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(benzimidazol-1-ylmethyl)-2-keto-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OC)CN3C=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2OC)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O4/c1-3-30-21(27)19-16(12-26-13-23-15-9-5-6-10-17(15)26)24-22(28)25-20(19)14-8-4-7-11-18(14)29-2/h4-11,13,20H,3,12H2,1-2H3,(H2,24,25,28)/t20-/m0/s1