2-(6-sulfanylidene-3H-purin-9-yl)ethyl ethanoate

Systemtic Name: 2-(6-sulfanylidene-3H-purin-9-yl)ethyl ethanoate Openeye Name: 2-(6-thioxo-3H-purin-9-yl)ethyl acetate CAS Name: acetic acid 2-(6-sulfanylidene-3H-purin-9-yl)ethyl ester IUPAC Name: 2-(6-sulfanylidene-3H-purin-9-yl)ethyl acetate Traditional Name: acetic acid 2-(6-thioxo-3H-purin-9-yl)ethyl ester Formula: C9H10N4O2S MolecularWeight: 238.2663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C=NC2=C1NC=NC2=S

Isomeric SMILES

CC(=O)OCCN1C=NC2=C1NC=NC2=S

InChI

InChI=1S/C9H10N4O2S/c1-6(14)15-3-2-13-5-12-7-8(13)10-4-11-9(7)16/h4-5H,2-3H2,1H3,(H,10,11,16)