3-[6-azanyl-9-methyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]purin-8-yl]phenol hydrochloride

Systemtic Name: 3-[6-azanyl-9-methyl-2-[2-(1-oxidanylcyclopentyl)ethynyl]purin-8-yl]phenol hydrochloride Openeye Name: 3-[6-amino-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-purin-8-yl]phenol hydrochloride CAS Name: 3-[6-amino-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-8-purinyl]phenol hydrochloride IUPAC Name: 3-[6-amino-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methylpurin-8-yl]phenol hydrochloride Traditional Name: 3-[6-amino-2-[2-(1-hydroxycyclopentyl)ethynyl]-9-methyl-purin-8-yl]phenol hydrochloride Formula: C19H20ClN5O2 MolecularWeight: 385.8474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)O.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3(CCCC3)O)N)N=C1C4=CC(=CC=C4)O.Cl

InChI

InChI=1S/C19H19N5O2.ClH/c1-24-17(12-5-4-6-13(25)11-12)23-15-16(20)21-14(22-18(15)24)7-10-19(26)8-2-3-9-19;/h4-6,11,25-26H,2-3,8-9H2,1H3,(H2,20,21,22);1H