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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C

InChI

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