9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-8-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-8-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-8-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[(4-methoxyphenyl)methyl]-8-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[(4-methoxyphenyl)methyl]purin-8-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-8-yl)-p-anisyl-amine dihydrochloride Formula: C18H23Cl2N5O MolecularWeight: 396.31412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC3=CN=CN=C3N2C4CCCC4.Cl.Cl

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC3=CN=CN=C3N2C4CCCC4.Cl.Cl

InChI

InChI=1S/C18H21N5O.2ClH/c1-24-15-8-6-13(7-9-15)10-20-18-22-16-11-19-12-21-17(16)23(18)14-4-2-3-5-14;;/h6-9,11-12,14H,2-5,10H2,1H3,(H,20,22);2*1H