ethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[(3,7-dimethyl-2,6-dioxo-8-purinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(2,6-diketo-3,7-dimethyl-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(N1C)C(=O)NC(=O)N2C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1C)C(=O)NC(=O)N2C

InChI

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