N2-(4-azanylcyclohexyl)-9-cyclopent-2-en-1-yl-N6-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopent-2-en-1-yl-N6-[4-(phenylmethyl)piperidin-1-yl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-(4-benzyl-1-piperidyl)-9-cyclopent-2-en-1-yl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-(1-cyclopent-2-enyl)-N6-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-(4-benzylpiperidin-1-yl)-9-cyclopent-2-en-1-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[(4-benzylpiperidino)amino]-9-cyclopent-2-en-1-yl-purin-2-yl]amine Formula: C28H38N8 MolecularWeight: 486.65492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CC(C=C1)N2C=NC3=C2N=C(N=C3NN4CCC(CC4)CC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C28H38N8/c29-22-10-12-23(13-11-22)31-28-32-26(25-27(33-28)36(19-30-25)24-8-4-5-9-24)34-35-16-14-21(15-17-35)18-20-6-2-1-3-7-20/h1-4,6-8,19,21-24H,5,9-18,29H2,(H2,31,32,33,34)