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

Systemtic Name: 9-[(2R,3S,4S,5R)-5-ethynyl-5-(hydroxymethyl)-3-methyl-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,3S,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-3-methyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,3S,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-3-methyl-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,3S,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,3S,4S,5R)-5-ethynyl-4-hydroxy-3-methyl-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC1N2C=NC3=C2NC=NC3=O)(CO)C#C)O

Isomeric SMILES

C[C@H]1[C@@H]([C@](O[C@H]1N2C=NC3=C2NC=NC3=O)(CO)C#C)O

InChI

InChI=1S/C13H14N4O4/c1-3-13(4-18)9(19)7(2)12(21-13)17-6-16-8-10(17)14-5-15-11(8)20/h1,5-7,9,12,18-19H,4H2,2H3,(H,14,15,20)/t7-,9-,12+,13+/m0/s1