5-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride

Systemtic Name: 5-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride Openeye Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride CAS Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-pentanol dihydrochloride IUPAC Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]pentan-1-ol dihydrochloride Traditional Name: 5-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride Formula: C21H37Cl2N7O MolecularWeight: 474.47078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCCCO)NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCCCCO)NC4CCC(CC4)N.Cl.Cl

InChI

InChI=1S/C21H35N7O.2ClH/c22-15-8-10-16(11-9-15)25-21-26-19(23-12-4-1-5-13-29)18-20(27-21)28(14-24-18)17-6-2-3-7-17;;/h14-17,29H,1-13,22H2,(H2,23,25,26,27);2*1H