ethyl 3-(dimethylcarbamoyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-(dimethylcarbamoyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxy-phenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(dimethylcarbamoyl)-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[dimethylamino(oxo)methyl]-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(dimethylcarbamoyl)-6-methyl-4-(2-pentadecyl-6-propan-2-yloxyphenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-(dimethylcarbamoyl)-4-(2-isopropoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C35H57N3O4S MolecularWeight: 615.90978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=S)N2C(=O)N(C)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC=C1)OC(C)C)C2C(=C(NC(=S)N2C(=O)N(C)C)C)C(=O)OCC

InChI

InChI=1S/C35H57N3O4S/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-23-28-24-22-25-29(42-26(3)4)31(28)32-30(33(39)41-9-2)27(5)36-34(43)38(32)35(40)37(6)7/h22,24-26,32H,8-21,23H2,1-7H3,(H,36,43)