ethyl 4-[2-(6-sulfanylidene-3H-purin-9-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(6-sulfanylidene-3H-purin-9-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-thioxo-3H-purin-9-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(6-sulfanylidene-3H-purin-9-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(6-thioxo-3H-purin-9-yl)acetyl]amino]benzoic acid ethyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC=NC3=S

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C16H15N5O3S/c1-2-24-16(23)10-3-5-11(6-4-10)20-12(22)7-21-9-19-13-14(21)17-8-18-15(13)25/h3-6,8-9H,2,7H2,1H3,(H,20,22)(H,17,18,25)