methyl (4S)-4-(2,4-dimethylphenyl)-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2,4-dimethylphenyl)-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2,4-dimethylphenyl)-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2,4-dimethylphenyl)-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2,4-dimethylphenyl)-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2,4-dimethylphenyl)-2-keto-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2C(=C(NC(=O)N2)CSC3=NC4=C(N3)C=C(C=C4)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)[C@H]2C(=C(NC(=O)N2)CSC3=NC4=C(N3)C=C(C=C4)C)C(=O)OC)C

InChI

InChI=1S/C23H24N4O3S/c1-12-5-7-15(14(3)9-12)20-19(21(28)30-4)18(24-22(29)27-20)11-31-23-25-16-8-6-13(2)10-17(16)26-23/h5-10,20H,11H2,1-4H3,(H,25,26)(H2,24,27,29)/t20-/m0/s1