9-[5-ethynyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one

Systemtic Name: 9-[5-ethynyl-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-(5-ethynyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3H-purin-6-one Formula: C12H12N4O5 MolecularWeight: 292.24748

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O)CO

Isomeric SMILES

C#CC1(C(C(C(O1)N2C=NC3=C2NC=NC3=O)O)O)CO

InChI

InChI=1S/C12H12N4O5/c1-2-12(3-17)8(19)7(18)11(21-12)16-5-15-6-9(16)13-4-14-10(6)20/h1,4-5,7-8,11,17-19H,3H2,(H,13,14,20)