N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-8-yl]ethanamide

Systemtic Name: N-[9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-8-yl]ethanamide Openeye Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-thioxo-3H-purin-8-yl]acetamide CAS Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-sulfanylidene-3H-purin-8-yl]acetamide IUPAC Name: N-[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-sulfanylidene-3H-purin-8-yl]acetamide Traditional Name: N-[9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-thioxo-3H-purin-8-yl]acetamide Formula: C12H15N5O5S MolecularWeight: 341.343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2=S

Isomeric SMILES

CC(=O)NC1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC=NC2=S

InChI

InChI=1S/C12H15N5O5S/c1-4(19)15-12-16-6-9(13-3-14-10(6)23)17(12)11-8(21)7(20)5(2-18)22-11/h3,5,7-8,11,18,20-21H,2H2,1H3,(H,13,14,23)(H,15,16,19)