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

Systemtic Name: 1,3,7-trimethyl-8-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylthio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]purine-2,6-dione Traditional Name: 8-[(2-keto-1H-quinolin-4-yl)methylthio]-1,3,7-trimethyl-xanthine Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=CC(=O)NC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=CC(=O)NC4=CC=CC=C43)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H17N5O3S/c1-21-14-15(22(2)18(26)23(3)16(14)25)20-17(21)27-9-10-8-13(24)19-12-7-5-4-6-11(10)12/h4-8H,9H2,1-3H3,(H,19,24)