9-cyclopentyl-N-pentan-2-yl-N-phenyl-purin-8-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-pentan-2-yl-N-phenyl-purin-8-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-(1-methylbutyl)-N-phenyl-purin-8-amine dihydrochloride CAS Name: 9-cyclopentyl-N-pentan-2-yl-N-phenyl-8-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-pentan-2-yl-N-phenylpurin-8-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-8-yl)-(1-methylbutyl)-phenyl-amine dihydrochloride Formula: C21H29Cl2N5 MolecularWeight: 422.39446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N(C1=CC=CC=C1)C2=NC3=CN=CN=C3N2C4CCCC4.Cl.Cl

Isomeric SMILES

CCCC(C)N(C1=CC=CC=C1)C2=NC3=CN=CN=C3N2C4CCCC4.Cl.Cl

InChI

InChI=1S/C21H27N5.2ClH/c1-3-9-16(2)25(17-10-5-4-6-11-17)21-24-19-14-22-15-23-20(19)26(21)18-12-7-8-13-18;;/h4-6,10-11,14-16,18H,3,7-9,12-13H2,1-2H3;2*1H