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

Systemtic Name: ethyl 2-[8-ethylsulfanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoate Openeye Name: ethyl 2-(8-ethylsulfanyl-3-methyl-2,6-dioxo-purin-7-yl)acetate CAS Name: 2-[8-(ethylthio)-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(8-ethylsulfanyl-3-methyl-2,6-dioxopurin-7-yl)acetate Traditional Name: 2-[8-(ethylthio)-2,6-diketo-3-methyl-purin-7-yl]acetic acid ethyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(N=C1SCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H16N4O4S/c1-4-20-7(17)6-16-8-9(13-12(16)21-5-2)15(3)11(19)14-10(8)18/h4-6H2,1-3H3,(H,14,18,19)