9-cyclopentyl-N-ethyl-8-pyridin-3-yl-purin-2-amine dihydrochloride

Systemtic Name: 9-cyclopentyl-N-ethyl-8-pyridin-3-yl-purin-2-amine dihydrochloride Openeye Name: 9-cyclopentyl-N-ethyl-8-(3-pyridyl)purin-2-amine dihydrochloride CAS Name: 9-cyclopentyl-N-ethyl-8-(3-pyridinyl)-2-purinamine dihydrochloride IUPAC Name: 9-cyclopentyl-N-ethyl-8-pyridin-3-ylpurin-2-amine dihydrochloride Traditional Name: [9-cyclopentyl-8-(3-pyridyl)purin-2-yl]-ethyl-amine dihydrochloride Formula: C17H22Cl2N6 MolecularWeight: 381.30278

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC=C2C(=N1)N(C(=N2)C3=CN=CC=C3)C4CCCC4.Cl.Cl

Isomeric SMILES

CCNC1=NC=C2C(=N1)N(C(=N2)C3=CN=CC=C3)C4CCCC4.Cl.Cl

InChI

InChI=1S/C17H20N6.2ClH/c1-2-19-17-20-11-14-16(22-17)23(13-7-3-4-8-13)15(21-14)12-6-5-9-18-10-12;;/h5-6,9-11,13H,2-4,7-8H2,1H3,(H,19,20,22);2*1H