1-[6-azanyl-9-methyl-8-(5-methylfuran-2-yl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride

Systemtic Name: 1-[6-azanyl-9-methyl-8-(5-methylfuran-2-yl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride Openeye Name: 1-[6-amino-9-methyl-8-(5-methyl-2-furyl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride CAS Name: 1-[6-amino-9-methyl-8-(5-methyl-2-furanyl)-2-purinyl]-3-ethyl-1-pentyn-3-ol hydrochloride IUPAC Name: 1-[6-amino-9-methyl-8-(5-methylfuran-2-yl)purin-2-yl]-3-ethylpent-1-yn-3-ol hydrochloride Traditional Name: 1-[6-amino-9-methyl-8-(5-methyl-2-furyl)purin-2-yl]-3-ethyl-pent-1-yn-3-ol hydrochloride Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC=C(O3)C)O.Cl

Isomeric SMILES

CCC(CC)(C#CC1=NC2=C(C(=N1)N)N=C(N2C)C3=CC=C(O3)C)O.Cl

InChI

InChI=1S/C18H21N5O2.ClH/c1-5-18(24,6-2)10-9-13-20-15(19)14-17(21-13)23(4)16(22-14)12-8-7-11(3)25-12;/h7-8,24H,5-6H2,1-4H3,(H2,19,20,21);1H