9-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]purin-2-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]purin-2-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]purin-2-amine dihydrochloride CAS Name: 9-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]-2-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-[(3,4-dichlorophenyl)methyl]purin-2-amine dihydrochloride Traditional Name: (9-cyclopentylpurin-2-yl)-(3,4-dichlorobenzyl)amine dihydrochloride Formula: C17H19Cl4N5 MolecularWeight: 435.17826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=CN=C(N=C32)NCC4=CC(=C(C=C4)Cl)Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=CN=C(N=C32)NCC4=CC(=C(C=C4)Cl)Cl.Cl.Cl

InChI

InChI=1S/C17H17Cl2N5.2ClH/c18-13-6-5-11(7-14(13)19)8-20-17-21-9-15-16(23-17)24(10-22-15)12-3-1-2-4-12;;/h5-7,9-10,12H,1-4,8H2,(H,20,21,23);2*1H