9-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-pyridin-4-yl-purin-2-amine

Systemtic Name: 9-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-pyridin-4-yl-purin-2-amine Openeye Name: 9-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-(4-pyridyl)purin-2-amine CAS Name: 9-methyl-N-[3-[(4-methyl-1-piperazinyl)methyl]phenyl]-8-pyridin-4-yl-2-purinamine IUPAC Name: 9-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-8-pyridin-4-ylpurin-2-amine Traditional Name: [3-[(4-methylpiperazino)methyl]phenyl]-[9-methyl-8-(4-pyridyl)purin-2-yl]amine Formula: C23H26N8 MolecularWeight: 414.50614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=CC=C2)NC3=NC=C4C(=N3)N(C(=N4)C5=CC=NC=C5)C

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=CC=C2)NC3=NC=C4C(=N3)N(C(=N4)C5=CC=NC=C5)C

InChI

InChI=1S/C23H26N8/c1-29-10-12-31(13-11-29)16-17-4-3-5-19(14-17)26-23-25-15-20-22(28-23)30(2)21(27-20)18-6-8-24-9-7-18/h3-9,14-15H,10-13,16H2,1-2H3,(H,25,26,28)