N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-6,8-diamine dihydrochloride

Systemtic Name: N8-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-6,8-diamine dihydrochloride Openeye Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-6,8-diamine dihydrochloride CAS Name: N8-(4-aminocyclohexyl)-9-cyclopentyl-N6-(3-fluorophenyl)purine-6,8-diamine dihydrochloride IUPAC Name: 8-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(3-fluorophenyl)purine-6,8-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(3-fluoroanilino)purin-8-yl]amine dihydrochloride Formula: C22H30Cl2FN7 MolecularWeight: 482.424903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=C(C(=NC=N3)NC4=CC(=CC=C4)F)N=C2NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NC4=CC(=CC=C4)F)N=C2NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H28FN7.2ClH/c23-14-4-3-5-17(12-14)27-20-19-21(26-13-25-20)30(18-6-1-2-7-18)22(29-19)28-16-10-8-15(24)9-11-16;;/h3-5,12-13,15-16,18H,1-2,6-11,24H2,(H,28,29)(H,25,26,27);2*1H