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

Systemtic Name: 1-[6-azanyl-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]oct-1-yn-3-one Openeye Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-2-yl]oct-1-yn-3-one CAS Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-purinyl]-1-octyn-3-one IUPAC Name: 1-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]oct-1-yn-3-one Traditional Name: 1-[6-amino-9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)purin-2-yl]oct-1-yn-3-one Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O5/c1-2-3-4-5-10(25)6-7-12-21-16(19)13-17(22-12)23(9-20-13)18-15(27)14(26)11(8-24)28-18/h9,11,14-15,18,24,26-27H,2-5,8H2,1H3,(H2,19,21,22)