2-methylpropyl 4-methyl-6-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(3-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-(3-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C29H31N5O6 MolecularWeight: 545.58634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N5O6/c1-18(2)17-40-29(37)24-20(4)30-26(21-9-6-5-7-10-21)31-25(24)28(36)32-13-14-33(19(3)16-32)27(35)22-11-8-12-23(15-22)34(38)39/h5-12,15,18-19H,13-14,16-17H2,1-4H3