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

Systemtic Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-9-cyclopentyl-purin-8-amine dihydrochloride Openeye Name: N-[(4-chlorophenyl)-cyclopropyl-methyl]-9-cyclopentyl-purin-8-amine dihydrochloride CAS Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-9-cyclopentyl-8-purinamine dihydrochloride IUPAC Name: N-[(4-chlorophenyl)-cyclopropylmethyl]-9-cyclopentylpurin-8-amine dihydrochloride Traditional Name: [(4-chlorophenyl)-cyclopropyl-methyl]-(9-cyclopentylpurin-8-yl)amine dihydrochloride Formula: C20H24Cl3N5 MolecularWeight: 440.79706

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C3=NC=NC=C3N=C2NC(C4CC4)C5=CC=C(C=C5)Cl.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C3=NC=NC=C3N=C2NC(C4CC4)C5=CC=C(C=C5)Cl.Cl.Cl

InChI

InChI=1S/C20H22ClN5.2ClH/c21-15-9-7-14(8-10-15)18(13-5-6-13)25-20-24-17-11-22-12-23-19(17)26(20)16-3-1-2-4-16;;/h7-13,16,18H,1-6H2,(H,24,25);2*1H