1,3-dimethyl-8-quinolin-8-ylsulfanyl-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-quinolin-8-ylsulfanyl-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(8-quinolylsulfanyl)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(8-quinolinylthio)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-quinolin-8-ylsulfanyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(8-quinolylthio)-7H-purine-2,6-quinone Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C16H13N5O2S/c1-20-13-12(14(22)21(2)16(20)23)18-15(19-13)24-10-7-3-5-9-6-4-8-17-11(9)10/h3-8H,1-2H3,(H,18,19)