8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-3-methyl-7H-purine-2,6-dione Openeye Name: 8-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-3-methyl-7H-purine-2,6-dione CAS Name: 8-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-3-methyl-7H-purine-2,6-quinone Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)NC(=N2)SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)NC(=N2)SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C15H14N4O4S/c1-19-12-11(13(21)18-15(19)22)16-14(17-12)24-7-10(20)8-3-5-9(23-2)6-4-8/h3-6H,7H2,1-2H3,(H,16,17)(H,18,21,22)