[4-[3-(2-methylphenyl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine

Systemtic Name: [4-[3-(2-methylphenyl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Openeye Name: [4-[3-(o-tolyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methanamine CAS Name: [4-[3-(2-methylphenyl)phenyl]-1-(7H-purin-6-yl)-4-piperidinyl]methanamine IUPAC Name: [4-[3-(2-methylphenyl)phenyl]-1-(7H-purin-6-yl)piperidin-4-yl]methanamine Traditional Name: [4-[3-(o-tolyl)phenyl]-1-(7H-purin-6-yl)-4-piperidyl]methylamine Formula: C24H26N6 MolecularWeight: 398.50344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C3(CCN(CC3)C4=NC=NC5=C4NC=N5)CN

InChI

InChI=1S/C24H26N6/c1-17-5-2-3-8-20(17)18-6-4-7-19(13-18)24(14-25)9-11-30(12-10-24)23-21-22(27-15-26-21)28-16-29-23/h2-8,13,15-16H,9-12,14,25H2,1H3,(H,26,27,28,29)