1,3-dimethyl-7-(2-quinolin-2-ylsulfanylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-quinolin-2-ylsulfanylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(2-quinolylsulfanyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(2-quinolinylthio)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-quinolin-2-ylsulfanylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(2-quinolylthio)ethyl]xanthine Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C18H17N5O2S/c1-21-16-15(17(24)22(2)18(21)25)23(11-19-16)9-10-26-14-8-7-12-5-3-4-6-13(12)20-14/h3-8,11H,9-10H2,1-2H3