N-[9-[(3S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl]-6-oxidanylidene-3H-purin-2-yl]ethanamide

Systemtic Name: N-[9-[(3S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl]-6-oxidanylidene-3H-purin-2-yl]ethanamide Openeye Name: N-[9-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-3-yl]-6-oxo-3H-purin-2-yl]acetamide CAS Name: N-[9-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-thiolanyl]-6-oxo-3H-purin-2-yl]acetamide IUPAC Name: N-[9-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-3-yl]-6-oxo-3H-purin-2-yl]acetamide Traditional Name: N-[9-[(3S,4S,5R)-4-hydroxy-5-methylol-tetrahydrothiophen-3-yl]-6-keto-3H-purin-2-yl]acetamide Formula: C12H15N5O4S MolecularWeight: 325.3436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CSC(C3O)CO

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H]3CS[C@@H]([C@H]3O)CO

InChI

InChI=1S/C12H15N5O4S/c1-5(19)14-12-15-10-8(11(21)16-12)13-4-17(10)6-3-22-7(2-18)9(6)20/h4,6-7,9,18,20H,2-3H2,1H3,(H2,14,15,16,19,21)/t6-,7-,9+/m1/s1