ethyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetate CAS Name: 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]acetate Traditional Name: 2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]acetic acid ethyl ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C11H14N4O4S/c1-4-19-6(16)5-20-10-12-7-8(13-10)14(2)11(18)15(3)9(7)17/h4-5H2,1-3H3,(H,12,13)