ethyl 2-oxidanylidene-6-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)sulfanylmethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=C(N2C4=CC=CC=C4)CCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=C(N2C4=CC=CC=C4)CCCC3

InChI

InChI=1S/C21H24N4O3S/c1-2-28-19(26)15-12-22-20(27)23-17(15)13-29-21-24-16-10-6-7-11-18(16)25(21)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H2,22,23,27)