N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidin-1-yl]purine-6,8-diamine

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidin-1-yl]purine-6,8-diamine Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-1-piperidyl]purine-6,8-diamine CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)-1-piperidinyl]purine-6,8-diamine IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidin-1-yl]purine-6,8-diamine Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-[[4-(2,3-dihydro-1H-benzimidazol-2-ylmethyl)piperidino]amino]purin-8-yl]amine Formula: C29H42N10 MolecularWeight: 530.71078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NN4CCC(CC4)CC5NC6=CC=CC=C6N5)N=C2NC7CCC(CC7)N

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NN4CCC(CC4)CC5NC6=CC=CC=C6N5)N=C2NC7CCC(CC7)N

InChI

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