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

Systemtic Name: 5-acetamido-2-methyl-N-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-5-yl]benzamide Openeye Name: 5-acetamido-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]benzamide CAS Name: 5-acetamido-2-methyl-N-[2-[4-(4-methyl-1-piperazinyl)anilino]-5-pyrimidinyl]benzamide IUPAC Name: 5-acetamido-2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]benzamide Traditional Name: 5-acetamido-2-methyl-N-[2-[4-(4-methylpiperazino)anilino]pyrimidin-5-yl]benzamide Formula: C25H29N7O2 MolecularWeight: 459.54346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=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)NC(=O)C)C(=O)NC2=CN=C(N=C2)NC3=CC=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H29N7O2/c1-17-4-5-20(28-18(2)33)14-23(17)24(34)29-21-15-26-25(27-16-21)30-19-6-8-22(9-7-19)32-12-10-31(3)11-13-32/h4-9,14-16H,10-13H2,1-3H3,(H,28,33)(H,29,34)(H,26,27,30)