methyl 2-[[1-methyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]sulfanyl]propanoate

Systemtic Name: methyl 2-[[1-methyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]sulfanyl]propanoate Openeye Name: methyl 2-[(1-methyl-2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]propanoate CAS Name: 2-[(1-methyl-2,6-dioxo-3,7-dihydropurin-8-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(1-methyl-2,6-dioxo-3,7-dihydropurin-8-yl)sulfanyl]propanoate Traditional Name: 2-[(2,6-diketo-1-methyl-3,7-dihydropurin-8-yl)thio]propionic acid methyl ester Formula: C10H12N4O4S MolecularWeight: 284.29168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NC2=C(N1)C(=O)N(C(=O)N2)C

Isomeric SMILES

CC(C(=O)OC)SC1=NC2=C(N1)C(=O)N(C(=O)N2)C

InChI

InChI=1S/C10H12N4O4S/c1-4(8(16)18-3)19-9-11-5-6(12-9)13-10(17)14(2)7(5)15/h4H,1-3H3,(H,11,12)(H,13,17)