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

Systemtic Name: ethyl 3-(dimethylcarbamoyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-(dimethylcarbamoyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[dimethylamino(oxo)methyl]-4-(2-methoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(dimethylcarbamoyl)-4-(2-methoxy-6-pentadecylphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-(dimethylcarbamoyl)-4-(2-methoxy-6-pentadecyl-phenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C33H53N3O4S MolecularWeight: 587.85662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H53N3O4S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-24-27(39-6)29(26)30-28(31(37)40-8-2)25(3)34-32(41)36(30)33(38)35(4)5/h21,23-24,30H,7-20,22H2,1-6H3,(H,34,41)