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

Systemtic Name: N-[6-azanyl-9-[(3S,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-thiolan-3-yl]purin-2-yl]ethanamide Openeye Name: N-[6-amino-9-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-3-yl]purin-2-yl]acetamide CAS Name: N-[6-amino-9-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-thiolanyl]-2-purinyl]acetamide IUPAC Name: N-[6-amino-9-[(3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-3-yl]purin-2-yl]acetamide Traditional Name: N-[6-amino-9-[(3S,4S,5R)-4-hydroxy-5-methylol-tetrahydrothiophen-3-yl]purin-2-yl]acetamide Formula: C12H16N6O3S MolecularWeight: 324.35884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(C(=N1)N)N=CN2C3CSC(C3O)CO

Isomeric SMILES

CC(=O)NC1=NC2=C(C(=N1)N)N=CN2[C@@H]3CS[C@@H]([C@H]3O)CO

InChI

InChI=1S/C12H16N6O3S/c1-5(20)15-12-16-10(13)8-11(17-12)18(4-14-8)6-3-22-7(2-19)9(6)21/h4,6-7,9,19,21H,2-3H2,1H3,(H3,13,15,16,17,20)/t6-,7-,9+/m1/s1