4-[[9-cyclopentyl-6-[(phenylmethyl)amino]purin-2-yl]amino]cyclohexan-1-one dihydrochloride

Systemtic Name: 4-[[9-cyclopentyl-6-[(phenylmethyl)amino]purin-2-yl]amino]cyclohexan-1-one dihydrochloride Openeye Name: 4-[[6-(benzylamino)-9-cyclopentyl-purin-2-yl]amino]cyclohexanone dihydrochloride CAS Name: 4-[[9-cyclopentyl-6-[(phenylmethyl)amino]-2-purinyl]amino]-1-cyclohexanone dihydrochloride IUPAC Name: 4-[[6-(benzylamino)-9-cyclopentylpurin-2-yl]amino]cyclohexan-1-one dihydrochloride Traditional Name: 4-[[6-(benzylamino)-9-cyclopentyl-purin-2-yl]amino]cyclohexanone dihydrochloride Formula: C23H30Cl2N6O MolecularWeight: 477.4299

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(=O)CC5.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4)NC5CCC(=O)CC5.Cl.Cl

InChI

InChI=1S/C23H28N6O.2ClH/c30-19-12-10-17(11-13-19)26-23-27-21(24-14-16-6-2-1-3-7-16)20-22(28-23)29(15-25-20)18-8-4-5-9-18;;/h1-3,6-7,15,17-18H,4-5,8-14H2,(H2,24,26,27,28);2*1H