1,3-dimethyl-8-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-7H-purine-2,6-dione Traditional Name: 8-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H14N4O5S MolecularWeight: 398.39256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C18H14N4O5S/c1-21-14-13(15(24)22(2)18(21)26)19-17(20-14)28-8-11(23)10-7-9-5-3-4-6-12(9)27-16(10)25/h3-7H,8H2,1-2H3,(H,19,20)