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

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzenecarbonitrile dihydrochloride Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzonitrile dihydrochloride CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]benzonitrile dihydrochloride IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]benzonitrile dihydrochloride Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzonitrile dihydrochloride Formula: C23H30Cl2N8 MolecularWeight: 489.4439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N8.2ClH/c24-13-15-5-9-17(10-6-15)27-21-20-22(31(14-26-20)19-3-1-2-4-19)30-23(29-21)28-18-11-7-16(25)8-12-18;;/h5-6,9-10,14,16,18-19H,1-4,7-8,11-12,25H2,(H2,27,28,29,30);2*1H