(phenylmethyl) 3-butyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 3-butyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 3-butyl-4-methyl-2-oxo-6-[2-(p-tolylsulfonyloxy)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-butyl-4-methyl-6-[2-(4-methylphenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-2-keto-4-methyl-6-(2-tosyloxyphenyl)-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C30H32N2O6S MolecularWeight: 548.64988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C30H32N2O6S/c1-4-5-19-32-22(3)27(29(33)37-20-23-11-7-6-8-12-23)28(31-30(32)34)25-13-9-10-14-26(25)38-39(35,36)24-17-15-21(2)16-18-24/h6-18,28H,4-5,19-20H2,1-3H3,(H,31,34)