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

Systemtic Name: methyl 3-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl 3-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid methyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1SCCC(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1SCCC(=O)OC)N(C(=O)NC2=O)C

InChI

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