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

Systemtic Name: 2-azanyl-9-[(2R,4S,5R)-3-ethynyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,4S,5R)-3-ethynyl-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,4S,5R)-3-ethynyl-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,4S,5R)-3-ethynyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,4S,5R)-3-ethynyl-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4/c1-2-5-8(19)6(3-18)21-11(5)17-4-14-7-9(17)15-12(13)16-10(7)20/h1,4-6,8,11,18-19H,3H2,(H3,13,15,16,20)/t5?,6-,8+,11-/m1/s1