N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-1-piperidyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidin-1-yl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidino]amino]purin-2-yl]amine Formula: C29H42N10 MolecularWeight: 530.71078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5NC6=CC=CC=C6N5)NC7CCC(CC7)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5NC6=CC=CC=C6N5)NC7CCC(CC7)N

InChI

InChI=1S/C29H42N10/c30-20-9-11-21(12-10-20)32-29-35-27(26-28(36-29)39(18-31-26)22-5-1-2-6-22)37-38-15-13-19(14-16-38)17-25-33-23-7-3-4-8-24(23)34-25/h3-4,7-8,18-22,25,33-34H,1-2,5-6,9-17,30H2,(H2,32,35,36,37)