methyl 3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl 3-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 3-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]propionic acid methyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCC(=O)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCC(=O)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H16N4O4S/c1-14-8-9(15(2)12(19)16(3)10(8)18)13-11(14)21-6-5-7(17)20-4/h5-6H2,1-4H3