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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[2-[(phenylmethyl)amino]ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[2-(benzylamino)ethyl]-9-cyclopentyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[2-[(phenylmethyl)amino]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[2-(benzylamino)ethyl]-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[2-(benzylamino)ethylamino]-9-cyclopentyl-purin-2-yl]amine Formula: C25H36N8 MolecularWeight: 448.60694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=CC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C25H36N8/c26-19-10-12-20(13-11-19)30-25-31-23(28-15-14-27-16-18-6-2-1-3-7-18)22-24(32-25)33(17-29-22)21-8-4-5-9-21/h1-3,6-7,17,19-21,27H,4-5,8-16,26H2,(H2,28,30,31,32)