1-[2-[6-azanyl-9-methyl-8-(1,3-thiazol-2-yl)purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride

Systemtic Name: 1-[2-[6-azanyl-9-methyl-8-(1,3-thiazol-2-yl)purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Openeye Name: 1-[2-(6-amino-9-methyl-8-thiazol-2-yl-purin-2-yl)ethynyl]cyclopentanol hydrochloride CAS Name: 1-[2-[6-amino-9-methyl-8-(2-thiazolyl)-2-purinyl]ethynyl]-1-cyclopentanol hydrochloride IUPAC Name: 1-[2-[6-amino-9-methyl-8-(1,3-thiazol-2-yl)purin-2-yl]ethynyl]cyclopentan-1-ol hydrochloride Traditional Name: 1-[2-(6-amino-9-methyl-8-thiazol-2-yl-purin-2-yl)ethynyl]cyclopentanol hydrochloride Formula: C16H17ClN6OS MolecularWeight: 376.86378

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=NC=CS4.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=NC=CS4.Cl

InChI

InChI=1S/C16H16N6OS.ClH/c1-22-13-11(21-14(22)15-18-8-9-24-15)12(17)19-10(20-13)4-7-16(23)5-2-3-6-16;/h8-9,23H,2-3,5-6H2,1H3,(H2,17,19,20);1H