4-(4-methylpiperazin-1-yl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide

Systemtic Name: 4-(4-methylpiperazin-1-yl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Openeye Name: 4-(4-methylpiperazin-1-yl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide CAS Name: 4-(4-methyl-1-piperazinyl)-N-[4-[(6-methyl-4-pyrimidinyl)amino]phenyl]-3-nitrobenzamide IUPAC Name: 4-(4-methylpiperazin-1-yl)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitrobenzamide Traditional Name: 4-(4-methylpiperazino)-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)NC2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O3/c1-16-13-22(25-15-24-16)26-18-4-6-19(7-5-18)27-23(31)17-3-8-20(21(14-17)30(32)33)29-11-9-28(2)10-12-29/h3-8,13-15H,9-12H2,1-2H3,(H,27,31)(H,24,25,26)