1-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hex-1-yn-3-one

Systemtic Name: 1-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]hex-1-yn-3-one Openeye Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]hex-1-yn-3-one CAS Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-1-hexyn-3-one IUPAC Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hex-1-yn-3-one Traditional Name: 1-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]hex-1-yn-3-one Formula: C16H19N5O5 MolecularWeight: 361.35256

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CCCC(=O)C#CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C16H19N5O5/c1-2-3-8(23)4-5-10-19-14(17)11-15(20-10)21(7-18-11)16-13(25)12(24)9(6-22)26-16/h7,9,12-13,16,22,24-25H,2-3,6H2,1H3,(H2,17,19,20)