2-azanyl-9-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(2-phenylethynyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[(4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-(2-phenylethynyl)-3H-purin-6-one Openeye Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8-(2-phenylethynyl)-3H-purin-6-one CAS Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-8-(2-phenylethynyl)-3H-purin-6-one IUPAC Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(2-phenylethynyl)-3H-purin-6-one Traditional Name: 2-amino-9-[(4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-8-(2-phenylethynyl)-3H-purin-6-one Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C(=NC3=C2NC(=NC3=O)N)C#CC4=CC=CC=C4)CO)O

Isomeric SMILES

C1[C@@H]([C@H](OC1N2C(=NC3=C2NC(=NC3=O)N)C#CC4=CC=CC=C4)CO)O

InChI

InChI=1S/C18H17N5O4/c19-18-21-16-15(17(26)22-18)20-13(7-6-10-4-2-1-3-5-10)23(16)14-8-11(25)12(9-24)27-14/h1-5,11-12,14,24-25H,8-9H2,(H3,19,21,22,26)/t11-,12+,14?/m0/s1