N-(cyanomethyl)-4-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide

Systemtic Name: N-(cyanomethyl)-4-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]benzamide Openeye Name: N-(cyanomethyl)-4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]benzamide CAS Name: N-(cyanomethyl)-4-[2-[4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]benzamide IUPAC Name: N-(cyanomethyl)-4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]benzamide Traditional Name: N-(cyanomethyl)-4-[2-[4-(4-methylpiperazino)anilino]pyrimidin-4-yl]benzamide Formula: C24H25N7O MolecularWeight: 427.5016

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=CC(=N3)C4=CC=C(C=C4)C(=O)NCC#N

InChI

InChI=1S/C24H25N7O/c1-30-14-16-31(17-15-30)21-8-6-20(7-9-21)28-24-27-12-10-22(29-24)18-2-4-19(5-3-18)23(32)26-13-11-25/h2-10,12H,13-17H2,1H3,(H,26,32)(H,27,28,29)