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

Systemtic Name: ethyl 6-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-cyclohexyl-2-benzimidazolyl)thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-cyclohexylbenzimidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-cyclohexylbenzimidazol-2-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3N2C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC3=CC=CC=C3N2C4CCCCC4

InChI

InChI=1S/C22H28N4O3S/c1-3-29-20(27)19-14(2)23-21(28)24-17(19)13-30-22-25-16-11-7-8-12-18(16)26(22)15-9-5-4-6-10-15/h7-8,11-12,14-15H,3-6,9-10,13H2,1-2H3,(H2,23,24,28)