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

Systemtic Name: ethyl 6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(6-methyl-1H-benzimidazol-2-yl)thio]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)NC1)CSC2=NC3=C(N2)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=C(N2)C=C(C=C3)C

InChI

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