N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[3-[2-(2-azanylpyrimidin-5-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide CAS Name: N-[3-[2-(2-amino-5-pyrimidinyl)ethynyl]phenyl]-4-[(4-methyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide Traditional Name: N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]phenyl]-4-[(4-methylpiperazino)methyl]benzamide Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CN=C(N=C4)N

InChI

InChI=1S/C25H26N6O/c1-30-11-13-31(14-12-30)18-20-7-9-22(10-8-20)24(32)29-23-4-2-3-19(15-23)5-6-21-16-27-25(26)28-17-21/h2-4,7-10,15-17H,11-14,18H2,1H3,(H,29,32)(H2,26,27,28)