4-[6-azanyl-8-(furan-2-yl)-9-methyl-purin-2-yl]but-3-yn-1-ol hydrochloride

Systemtic Name: 4-[6-azanyl-8-(furan-2-yl)-9-methyl-purin-2-yl]but-3-yn-1-ol hydrochloride Openeye Name: 4-[6-amino-8-(2-furyl)-9-methyl-purin-2-yl]but-3-yn-1-ol hydrochloride CAS Name: 4-[6-amino-8-(2-furanyl)-9-methyl-2-purinyl]-3-butyn-1-ol hydrochloride IUPAC Name: 4-[6-amino-8-(furan-2-yl)-9-methylpurin-2-yl]but-3-yn-1-ol hydrochloride Traditional Name: 4-[6-amino-8-(2-furyl)-9-methyl-purin-2-yl]but-3-yn-1-ol hydrochloride Formula: C14H14ClN5O2 MolecularWeight: 319.74626

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CCCO)N)N=C1C3=CC=CO3.Cl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CCCO)N)N=C1C3=CC=CO3.Cl

InChI

InChI=1S/C14H13N5O2.ClH/c1-19-13(9-5-4-8-21-9)18-11-12(15)16-10(17-14(11)19)6-2-3-7-20;/h4-5,8,20H,3,7H2,1H3,(H2,15,16,17);1H