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

Systemtic Name: ethyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H18N4O3S/c1-3-23-14(21)13-9(2)17-15(22)18-12(13)8-24-16-19-10-6-4-5-7-11(10)20-16/h4-7,9H,3,8H2,1-2H3,(H,19,20)(H2,17,18,22)/t9-/m0/s1