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

Systemtic Name: 9-[(2R,4R,5R)-5-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 9-[(2R,4R,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 9-[(2R,4R,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 9-[(2R,4R,5R)-5-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 9-[(2R,4R,5R)-5-ethynyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C#C[C@]1([C@@H](C[C@@H](O1)N2C=NC3=C2NC=NC3=O)O)CO

InChI

InChI=1S/C12H12N4O4/c1-2-12(4-17)7(18)3-8(20-12)16-6-15-9-10(16)13-5-14-11(9)19/h1,5-8,17-18H,3-4H2,(H,13,14,19)/t7-,8-,12-/m1/s1