2,6-dimethyl-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-3-nitro-benzamide

Systemtic Name: 2,6-dimethyl-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]-3-nitro-benzamide Openeye Name: 2,6-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-3-nitro-benzamide CAS Name: 2,6-dimethyl-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-5-pyrimidinyl]-3-nitrobenzamide IUPAC Name: 2,6-dimethyl-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]-3-nitrobenzamide Traditional Name: 2,6-dimethyl-N-[2-[4-(4-methylpiperazino)anilino]pyrimidin-5-yl]-3-nitro-benzamide Formula: C24H27N7O3 MolecularWeight: 461.51628

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H27N7O3/c1-16-4-9-21(31(33)34)17(2)22(16)23(32)27-19-14-25-24(26-15-19)28-18-5-7-20(8-6-18)30-12-10-29(3)11-13-30/h4-9,14-15H,10-13H2,1-3H3,(H,27,32)(H,25,26,28)