N-(2-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(2-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[3-(4-methylpiperazin-1-yl)phenyl]-N-(o-tolyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(2-methylphenyl)-1-[3-(4-methyl-1-piperazinyl)phenyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(2-methylphenyl)-1-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-[3-(4-methylpiperazino)phenyl]pyrazolo[3,4-d]pyrimidin-4-yl]-(o-tolyl)amine Formula: C23H25N7 MolecularWeight: 399.4915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)N5CCN(CC5)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)N5CCN(CC5)C

InChI

InChI=1S/C23H25N7/c1-17-6-3-4-9-21(17)27-22-20-15-26-30(23(20)25-16-24-22)19-8-5-7-18(14-19)29-12-10-28(2)11-13-29/h3-9,14-16H,10-13H2,1-2H3,(H,24,25,27)