N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(diphenylmethyl)amino]ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(diphenylmethyl)amino]ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[2-(benzhydrylamino)ethyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(diphenylmethyl)amino]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-(benzhydrylamino)ethyl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[2-(benzhydrylamino)ethylamino]-9-cyclopentyl-purin-2-yl]amine Formula: C31H40N8 MolecularWeight: 524.7029

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(C4=CC=CC=C4)C5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(C4=CC=CC=C4)C5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C31H40N8/c32-24-15-17-25(18-16-24)36-31-37-29(28-30(38-31)39(21-35-28)26-13-7-8-14-26)34-20-19-33-27(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-6,9-12,21,24-27,33H,7-8,13-20,32H2,(H2,34,36,37,38)