ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1H-benzimidazol-2-ylsulfanylmethyl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-6-keto-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)CSC2=NC3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)CSC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H14N4O3S/c1-2-22-14(21)9-7-16-12(19-13(9)20)8-23-15-17-10-5-3-4-6-11(10)18-15/h3-7H,2,8H2,1H3,(H,17,18)(H,16,19,20)