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

Systemtic Name: methyl 4-(methoxymethyl)-6-[3-methyl-4-(4-nitrophenyl)carbonyl-piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(methoxymethyl)-6-[3-methyl-4-(4-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-(methoxymethyl)-6-[[3-methyl-4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(methoxymethyl)-6-[3-methyl-4-(4-nitrobenzoyl)piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(methoxymethyl)-6-[3-methyl-4-(4-nitrobenzoyl)piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H27N5O7 MolecularWeight: 533.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O7/c1-17-15-30(13-14-31(17)25(33)19-9-11-20(12-10-19)32(36)37)26(34)23-22(27(35)39-3)21(16-38-2)28-24(29-23)18-7-5-4-6-8-18/h4-12,17H,13-16H2,1-3H3