4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine

Systemtic Name: 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Openeye Name: 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine CAS Name: 4-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-N-(3-nitrophenyl)-2-pyrimidinamine IUPAC Name: 4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(3-nitrophenyl)pyrimidin-2-amine Traditional Name: [4-[3-[(4-methylpiperazino)methyl]phenyl]pyrimidin-2-yl]-(3-nitrophenyl)amine Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O2/c1-26-10-12-27(13-11-26)16-17-4-2-5-18(14-17)21-8-9-23-22(25-21)24-19-6-3-7-20(15-19)28(29)30/h2-9,14-15H,10-13,16H2,1H3,(H,23,24,25)