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

Systemtic Name: 9-[(2R,3S,4S,5R)-5-azido-3-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,3S,4S,5R)-5-azido-3-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,3S,4S,5R)-5-azido-3-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,3S,4S,5R)-5-azido-3-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,3S,4S,5R)-5-azido-3-ethynyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H11N7O4 MolecularWeight: 317.26024

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(OC1N2C=NC3=C2NC=NC3=O)(CO)N=[N+]=[N-])O

Isomeric SMILES

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

InChI

InChI=1S/C12H11N7O4/c1-2-6-8(21)12(3-20,17-18-13)23-11(6)19-5-16-7-9(19)14-4-15-10(7)22/h1,4-6,8,11,20-21H,3H2,(H,14,15,22)/t6-,8-,11+,12+/m0/s1