(phenylmethyl) 2,4-dimethyl-6-[3-methyl-4-(4-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2,4-dimethyl-6-[3-methyl-4-(4-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: benzyl 2,4-dimethyl-6-[3-methyl-4-(4-nitrobenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-dimethyl-6-[3-methyl-4-(4-nitrobenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-(4-nitrobenzoyl)piperazine-1-carbonyl]pyrimidine-5-carboxylic acid benzyl ester Formula: C27H27N5O6 MolecularWeight: 517.53318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=C(C(=NC(=N3)C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N5O6/c1-17-15-30(13-14-31(17)25(33)21-9-11-22(12-10-21)32(36)37)26(34)24-23(18(2)28-19(3)29-24)27(35)38-16-20-7-5-4-6-8-20/h4-12,17H,13-16H2,1-3H3