ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]propanoate

Systemtic Name: ethyl 2-[3-methyl-2,6-bis(oxidanylidene)-8-sulfanylidene-9H-purin-7-yl]propanoate Openeye Name: ethyl 2-(3-methyl-2,6-dioxo-8-thioxo-9H-purin-7-yl)propanoate CAS Name: 2-(3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-methyl-2,6-dioxo-8-sulfanylidene-9H-purin-7-yl)propanoate Traditional Name: 2-(2,6-diketo-3-methyl-8-thioxo-9H-purin-7-yl)propionic acid ethyl ester Formula: C11H14N4O4S MolecularWeight: 298.31826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C2=C(NC1=S)N(C(=O)NC2=O)C

Isomeric SMILES

CCOC(=O)C(C)N1C2=C(NC1=S)N(C(=O)NC2=O)C

InChI

InChI=1S/C11H14N4O4S/c1-4-19-9(17)5(2)15-6-7(12-11(15)20)14(3)10(18)13-8(6)16/h5H,4H2,1-3H3,(H,12,20)(H,13,16,18)