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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NC4=CC=CC=C4C=C3

InChI

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