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

Systemtic Name: ethyl 6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(CNC(=O)N3)C(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C(CNC(=O)N3)C(=O)OCC

InChI

InChI=1S/C17H20N4O4S/c1-3-24-10-5-6-12-13(7-10)21-17(20-12)26-9-14-11(15(22)25-4-2)8-18-16(23)19-14/h5-7H,3-4,8-9H2,1-2H3,(H,20,21)(H2,18,19,23)