2-(6-azanyl-9-methyl-8-phenyl-purin-2-yl)-1-ethynyl-cyclopentan-1-ol hydrochloride

Systemtic Name: 2-(6-azanyl-9-methyl-8-phenyl-purin-2-yl)-1-ethynyl-cyclopentan-1-ol hydrochloride Openeye Name: 2-(6-amino-9-methyl-8-phenyl-purin-2-yl)-1-ethynyl-cyclopentanol hydrochloride CAS Name: 2-(6-amino-9-methyl-8-phenyl-2-purinyl)-1-ethynyl-1-cyclopentanol hydrochloride IUPAC Name: 2-(6-amino-9-methyl-8-phenylpurin-2-yl)-1-ethynylcyclopentan-1-ol hydrochloride Traditional Name: 2-(6-amino-9-methyl-8-phenyl-purin-2-yl)-1-ethynyl-cyclopentanol hydrochloride Formula: C19H20ClN5O MolecularWeight: 369.848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC=CC=C4.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3CCCC3(C#C)O)N)N=C1C4=CC=CC=C4.Cl

InChI

InChI=1S/C19H19N5O.ClH/c1-3-19(25)11-7-10-13(19)16-22-15(20)14-18(23-16)24(2)17(21-14)12-8-5-4-6-9-12;/h1,4-6,8-9,13,25H,7,10-11H2,2H3,(H2,20,22,23);1H