2-methyl-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-5-nitro-benzamide

Systemtic Name: 2-methyl-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-5-nitro-benzamide Openeye Name: 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-5-nitro-benzamide CAS Name: 2-methyl-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-5-pyrimidinyl]-5-nitrobenzamide IUPAC Name: 2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-5-nitrobenzamide Traditional Name: 2-methyl-N-[2-[4-(4-methylpiperazino)anilino]pyrimidin-5-yl]-5-nitro-benzamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN=C(N=C2)NC3=CC=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CN=C(N=C2)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

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