9-cyclopentyl-N-[(3-methylphenyl)methyl]purin-2-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-[(3-methylphenyl)methyl]purin-2-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-(m-tolylmethyl)purin-2-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[(3-methylphenyl)methyl]-2-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[(3-methylphenyl)methyl]purin-2-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-2-yl)-(3-methylbenzyl)amine dihydrochloride Formula: C18H23Cl2N5 MolecularWeight: 380.31472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC2=NC=C3C(=N2)N(C=N3)C4CCCC4.Cl.Cl

Isomeric SMILES

CC1=CC(=CC=C1)CNC2=NC=C3C(=N2)N(C=N3)C4CCCC4.Cl.Cl

InChI

InChI=1S/C18H21N5.2ClH/c1-13-5-4-6-14(9-13)10-19-18-20-11-16-17(22-18)23(12-21-16)15-7-2-3-8-15;;/h4-6,9,11-12,15H,2-3,7-8,10H2,1H3,(H,19,20,22);2*1H