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

Systemtic Name: 9-[(2R,4S,5R)-3-ethenyl-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-3-vinyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,4S,5R)-3-ethenyl-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,4S,5R)-3-ethenyl-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,4S,5R)-5-ethynyl-4-hydroxy-5-methylol-3-vinyl-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CC1[C@@H]([C@](O[C@H]1N2C=NC3=C2NC=NC3=O)(CO)C#C)O

InChI

InChI=1S/C14H14N4O4/c1-3-8-10(20)14(4-2,5-19)22-13(8)18-7-17-9-11(18)15-6-16-12(9)21/h2-3,6-8,10,13,19-20H,1,5H2,(H,15,16,21)/t8?,10-,13+,14+/m0/s1