ethyl 4-(6-sulfanylidene-3H-purin-9-yl)butanoate

Systemtic Name: ethyl 4-(6-sulfanylidene-3H-purin-9-yl)butanoate Openeye Name: ethyl 4-(6-thioxo-3H-purin-9-yl)butanoate CAS Name: 4-(6-sulfanylidene-3H-purin-9-yl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(6-sulfanylidene-3H-purin-9-yl)butanoate Traditional Name: 4-(6-thioxo-3H-purin-9-yl)butyric acid ethyl ester Formula: C11H14N4O2S MolecularWeight: 266.31946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=NC2=C1NC=NC2=S

Isomeric SMILES

CCOC(=O)CCCN1C=NC2=C1NC=NC2=S

InChI

InChI=1S/C11H14N4O2S/c1-2-17-8(16)4-3-5-15-7-14-9-10(15)12-6-13-11(9)18/h6-7H,2-5H2,1H3,(H,12,13,18)