ethyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-methyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetate CAS Name: 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetate Traditional Name: 2-[(2,6-diketo-3-methyl-7H-purin-8-yl)methylthio]acetic acid ethyl ester Formula: C11H14N4O4S MolecularWeight: 298.31826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=NC2=C(N1)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSCC1=NC2=C(N1)C(=O)NC(=O)N2C

InChI

InChI=1S/C11H14N4O4S/c1-3-19-7(16)5-20-4-6-12-8-9(13-6)15(2)11(18)14-10(8)17/h3-5H2,1-2H3,(H,12,13)(H,14,17,18)