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

Systemtic Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecyl-phenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-ethoxy-6-pentadecylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-(2-ethoxy-6-pentadecylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(1H-benzimidazol-2-ylthio)methyl]-4-(2-ethoxy-6-pentadecyl-phenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C38H54N4O4S MolecularWeight: 662.92476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H54N4O4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-22-28-23-21-26-32(45-5-2)33(28)35-34(36(43)46-6-3)31(39-37(44)42-35)27-47-38-40-29-24-19-20-25-30(29)41-38/h19-21,23-26,35H,4-18,22,27H2,1-3H3,(H,40,41)(H2,39,42,44)