[5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate

Systemtic Name: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] ethanoate Openeye Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] acetate CAS Name: acetic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] acetate Traditional Name: acetic acid [5-(2-amino-6-thioxo-3H-purin-9-yl)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C12H15N5O4S MolecularWeight: 325.3436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(OC1CO)N2C=NC3=C2NC(=NC3=S)N

Isomeric SMILES

CC(=O)OC1CC(OC1CO)N2C=NC3=C2NC(=NC3=S)N

InChI

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