ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]ethanoate

Systemtic Name: ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]ethanoate Openeye Name: ethyl 2-(1,3-dimethyl-2,6-dioxo-8-thioxo-9H-purin-7-yl)acetate CAS Name: 2-(1,3-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dimethyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)acetate Traditional Name: 2-(2,6-diketo-1,3-dimethyl-8-thioxo-9H-purin-7-yl)acetic acid ethyl ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)CN1C2=C(NC1=S)N(C(=O)N(C2=O)C)C

InChI

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