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

Systemtic Name: methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2,4-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2,4-dimethylphenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H]2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OC)C

InChI

InChI=1S/C22H22N4O3S/c1-12-8-9-14(13(2)10-12)19-18(20(27)29-3)17(23-21(28)26-19)11-30-22-24-15-6-4-5-7-16(15)25-22/h4-10,19H,11H2,1-3H3,(H,24,25)(H2,23,26,28)/t19-/m0/s1