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

Systemtic Name: 9-[(2S,4R,5S)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-phenylsulfanyl-3H-purin-6-one Openeye Name: 9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-phenylsulfanyl-3H-purin-6-one CAS Name: 9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-(phenylthio)-3H-purin-6-one IUPAC Name: 9-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-phenylsulfanyl-3H-purin-6-one Traditional Name: 9-[(2S,4R,5S)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-(phenylthio)-3H-purin-6-one Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)SC4=CC=CC=C4)CO)O

Isomeric SMILES

C1[C@H]([C@@H](O[C@@H]1N2C=NC3=C2NC(=NC3=O)SC4=CC=CC=C4)CO)O

InChI

InChI=1S/C16H16N4O4S/c21-7-11-10(22)6-12(24-11)20-8-17-13-14(20)18-16(19-15(13)23)25-9-4-2-1-3-5-9/h1-5,8,10-12,21-22H,6-7H2,(H,18,19,23)/t10-,11+,12+/m1/s1