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

Systemtic Name: methyl 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(4-methyl-1-piperazinyl)ethyl]-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-(4-methylpiperazino)ethyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=NC(=NC(=C2C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)CCC2=NC(=NC(=C2C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4/c1-28-13-15-29(16-14-28)12-11-21-22(25(31)34-2)23(19-9-6-10-20(17-19)30(32)33)27-24(26-21)18-7-4-3-5-8-18/h3-10,17H,11-16H2,1-2H3