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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1NC=NC2=S

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1NC=NC2=S

InChI

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