5-[[8-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride

Systemtic Name: 5-[[8-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride Openeye Name: 5-[[8-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]pentan-1-ol dihydrochloride CAS Name: 5-[[8-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-pentanol dihydrochloride IUPAC Name: 5-[[8-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]pentan-1-ol dihydrochloride Traditional Name: 5-[[8-[(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)N2C3=C(C(=NC=N3)NCCCCCO)N=C2NC4CCC(CC4)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=C(C(=NC=N3)NCCCCCO)N=C2NC4CCC(CC4)N.Cl.Cl

InChI

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