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

Systemtic Name: methyl 4-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(4-methylpiperazino)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C24H25N5O4 MolecularWeight: 447.4864

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC(=NC(=C2C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CC2=NC(=NC(=C2C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O4/c1-27-11-13-28(14-12-27)16-20-21(24(30)33-2)22(18-9-6-10-19(15-18)29(31)32)26-23(25-20)17-7-4-3-5-8-17/h3-10,15H,11-14,16H2,1-2H3