N-(2-thiophen-2-yl-3-bicyclo[2.2.2]octanyl)-7H-purin-6-amine hydrochloride

Systemtic Name: N-(2-thiophen-2-yl-3-bicyclo[2.2.2]octanyl)-7H-purin-6-amine hydrochloride Openeye Name: N-[2-(2-thienyl)-3-bicyclo[2.2.2]octanyl]-7H-purin-6-amine hydrochloride CAS Name: N-(2-thiophen-2-yl-3-bicyclo[2.2.2]octanyl)-7H-purin-6-amine hydrochloride IUPAC Name: N-(2-thiophen-2-yl-3-bicyclo[2.2.2]octanyl)-7H-purin-6-amine hydrochloride Traditional Name: 7H-purin-6-yl-[2-(2-thienyl)-3-bicyclo[2.2.2]octanyl]amine hydrochloride Formula: C17H20ClN5S MolecularWeight: 361.8922

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(C2NC3=NC=NC4=C3NC=N4)C5=CC=CS5.Cl

Isomeric SMILES

C1CC2CCC1C(C2NC3=NC=NC4=C3NC=N4)C5=CC=CS5.Cl

InChI

InChI=1S/C17H19N5S.ClH/c1-2-12(23-7-1)13-10-3-5-11(6-4-10)14(13)22-17-15-16(19-8-18-15)20-9-21-17;/h1-2,7-11,13-14H,3-6H2,(H2,18,19,20,21,22);1H