9-cyclopentyl-N-(2-pentylphenyl)purin-2-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-(2-pentylphenyl)purin-2-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-(2-pentylphenyl)purin-2-amine dihydrochloride CAS Name: 9-cyclopentyl-N-(2-pentylphenyl)-2-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-(2-pentylphenyl)purin-2-amine dihydrochloride Traditional Name: (2-amylphenyl)-(9-cyclopentylpurin-2-yl)amine dihydrochloride Formula: C21H29Cl2N5 MolecularWeight: 422.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1NC2=NC=C3C(=N2)N(C=N3)C4CCCC4.Cl.Cl

Isomeric SMILES

CCCCCC1=CC=CC=C1NC2=NC=C3C(=N2)N(C=N3)C4CCCC4.Cl.Cl

InChI

InChI=1S/C21H27N5.2ClH/c1-2-3-4-9-16-10-5-8-13-18(16)24-21-22-14-19-20(25-21)26(15-23-19)17-11-6-7-12-17;;/h5,8,10,13-15,17H,2-4,6-7,9,11-12H2,1H3,(H,22,24,25);2*1H