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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(C4)CC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NN4CCC(C4)CC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C27H38N8/c28-21-10-12-22(13-11-21)30-27-31-25(24-26(32-27)35(18-29-24)23-8-4-5-9-23)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)