5-azanyl-2-[[9-cyclopentyl-6-[(phenylmethyl)amino]purin-2-yl]amino]cyclohexan-1-ol dihydrochloride

Systemtic Name: 5-azanyl-2-[[9-cyclopentyl-6-[(phenylmethyl)amino]purin-2-yl]amino]cyclohexan-1-ol dihydrochloride Openeye Name: 5-amino-2-[[6-(benzylamino)-9-cyclopentyl-purin-2-yl]amino]cyclohexanol dihydrochloride CAS Name: 5-amino-2-[[9-cyclopentyl-6-[(phenylmethyl)amino]-2-purinyl]amino]-1-cyclohexanol dihydrochloride IUPAC Name: 5-amino-2-[[6-(benzylamino)-9-cyclopentylpurin-2-yl]amino]cyclohexan-1-ol dihydrochloride Traditional Name: 5-amino-2-[[6-(benzylamino)-9-cyclopentyl-purin-2-yl]amino]cyclohexanol dihydrochloride Formula: C23H33Cl2N7O MolecularWeight: 494.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(CC5O)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(CC5O)N.Cl.Cl

InChI

InChI=1S/C23H31N7O.2ClH/c24-16-10-11-18(19(31)12-16)27-23-28-21(25-13-15-6-2-1-3-7-15)20-22(29-23)30(14-26-20)17-8-4-5-9-17;;/h1-3,6-7,14,16-19,31H,4-5,8-13,24H2,(H2,25,27,28,29);2*1H