1,3-dimethyl-8-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[(3-oxo-4H-quinoxalin-2-yl)methylthio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-7H-purine-2,6-dione Traditional Name: 8-[(3-keto-4H-quinoxalin-2-yl)methylthio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C16H14N6O3S/c1-21-12-11(14(24)22(2)16(21)25)19-15(20-12)26-7-10-13(23)18-9-6-4-3-5-8(9)17-10/h3-6H,7H2,1-2H3,(H,18,23)(H,19,20)