3-[(2-chlorophenyl)methyl]-N-cyclopentyl-8-propan-2-yl-purin-6-amine hydrochloride

Systemtic Name: 3-[(2-chlorophenyl)methyl]-N-cyclopentyl-8-propan-2-yl-purin-6-amine hydrochloride Openeye Name: 3-[(2-chlorophenyl)methyl]-N-cyclopentyl-8-isopropyl-purin-6-amine hydrochloride CAS Name: 3-[(2-chlorophenyl)methyl]-N-cyclopentyl-8-propan-2-yl-6-purinamine hydrochloride IUPAC Name: 3-[(2-chlorophenyl)methyl]-N-cyclopentyl-8-propan-2-ylpurin-6-amine hydrochloride Traditional Name: [3-(2-chlorobenzyl)-8-isopropyl-purin-6-yl]-cyclopentyl-amine hydrochloride Formula: C20H25Cl2N5 MolecularWeight: 406.352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC=CC=C3Cl)NC4CCCC4.Cl

Isomeric SMILES

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC=CC=C3Cl)NC4CCCC4.Cl

InChI

InChI=1S/C20H24ClN5.ClH/c1-13(2)18-24-17-19(23-15-8-4-5-9-15)22-12-26(20(17)25-18)11-14-7-3-6-10-16(14)21;/h3,6-7,10,12-13,15,23H,4-5,8-9,11H2,1-2H3;1H