ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecyl-phenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-methoxy-6-pentadecylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-methoxy-6-pentadecylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-2-keto-4-(2-methoxy-6-pentadecyl-phenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C37H52N4O4S MolecularWeight: 648.89818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC)C2C(=C(NC(=O)N2)CSC3=NC4=CC=CC=C4N3)C(=O)OCC

InChI

InChI=1S/C37H52N4O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-27-22-20-25-31(44-3)32(27)34-33(35(42)45-5-2)30(38-36(43)41-34)26-46-37-39-28-23-18-19-24-29(28)40-37/h18-20,22-25,34H,4-17,21,26H2,1-3H3,(H,39,40)(H2,38,41,43)