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

Systemtic Name: 3,7-dimethyl-1-(3-quinolin-2-ylsulfanylpropyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(2-quinolylsulfanyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(2-quinolinylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(3-quinolin-2-ylsulfanylpropyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(2-quinolylthio)propyl]xanthine Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H19N5O2S/c1-22-12-20-17-16(22)18(25)24(19(26)23(17)2)10-5-11-27-15-9-8-13-6-3-4-7-14(13)21-15/h3-4,6-9,12H,5,10-11H2,1-2H3