methyl 5-[[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(2,6-diketo-1,3,9-trimethyl-purin-8-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C15H16N4O5S/c1-17-11-10(12(20)19(3)15(22)18(11)2)16-14(17)25-7-8-5-6-9(24-8)13(21)23-4/h5-6H,7H2,1-4H3