diethyl 2-(5H-purin-6-ylsulfanyl)butanedioate

Systemtic Name: diethyl 2-(5H-purin-6-ylsulfanyl)butanedioate Openeye Name: diethyl 2-(5H-purin-6-ylsulfanyl)butanedioate CAS Name: 2-(5H-purin-6-ylthio)butanedioic acid diethyl ester IUPAC Name: diethyl 2-(5H-purin-6-ylsulfanyl)butanedioate Traditional Name: 2-(5H-purin-6-ylthio)succinic acid diethyl ester Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)SC1=NC=NC2=NC=NC21

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)SC1=NC=NC2=NC=NC21

InChI

InChI=1S/C13H16N4O4S/c1-3-20-9(18)5-8(13(19)21-4-2)22-12-10-11(15-6-14-10)16-7-17-12/h6-8,10H,3-5H2,1-2H3