4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzamide dihydrochloride

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzamide dihydrochloride Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzamide dihydrochloride CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]benzamide dihydrochloride IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]benzamide dihydrochloride Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzamide dihydrochloride Formula: C23H32Cl2N8O MolecularWeight: 507.45918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C(=O)N)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C(=O)N)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C23H30N8O.2ClH/c24-15-7-11-17(12-8-15)28-23-29-21(27-16-9-5-14(6-10-16)20(25)32)19-22(30-23)31(13-26-19)18-3-1-2-4-18;;/h5-6,9-10,13,15,17-18H,1-4,7-8,11-12,24H2,(H2,25,32)(H2,27,28,29,30);2*1H