N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[3-(phenylmethyl)pyrrolidin-1-yl]purine-2,6-diamine

Systemtic Name: N6-(4-azanylcyclohexyl)-9-cyclopentyl-N2-[3-(phenylmethyl)pyrrolidin-1-yl]purine-2,6-diamine Openeye Name: N6-(4-aminocyclohexyl)-N2-(3-benzylpyrrolidin-1-yl)-9-cyclopentyl-purine-2,6-diamine CAS Name: N6-(4-aminocyclohexyl)-9-cyclopentyl-N2-[3-(phenylmethyl)-1-pyrrolidinyl]purine-2,6-diamine IUPAC Name: 6-N-(4-aminocyclohexyl)-2-N-(3-benzylpyrrolidin-1-yl)-9-cyclopentylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[2-[(3-benzylpyrrolidino)amino]-9-cyclopentyl-purin-6-yl]amine Formula: C27H38N8 MolecularWeight: 474.64422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(C5)CC6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCC(CC4)N)NN5CCC(C5)CC6=CC=CC=C6

InChI

InChI=1S/C27H38N8/c28-21-10-12-22(13-11-21)30-25-24-26(35(18-29-24)23-8-4-5-9-23)32-27(31-25)33-34-15-14-20(17-34)16-19-6-2-1-3-7-19/h1-3,6-7,18,20-23H,4-5,8-17,28H2,(H2,30,31,32,33)