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

Systemtic Name: 4-methyl-N-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Openeye Name: 4-methyl-N-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide CAS Name: 4-methyl-N-[(4-methyl-1-piperazinyl)methyl]-6-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide IUPAC Name: 4-methyl-N-[(4-methylpiperazin-1-yl)methyl]-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carboxamide Traditional Name: 4-methyl-N-[(4-methylpiperazino)methyl]-6-(3-nitrophenyl)-2-phenyl-pyrimidine-5-carboxamide Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1C(=O)NCN2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1C(=O)NCN2CCN(CC2)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H26N6O3/c1-17-21(24(31)25-16-29-13-11-28(2)12-14-29)22(19-9-6-10-20(15-19)30(32)33)27-23(26-17)18-7-4-3-5-8-18/h3-10,15H,11-14,16H2,1-2H3,(H,25,31)