3,7-dimethyl-1-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-(1,3,4-thiadiazol-2-ylthio)propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-(1,3,4-thiadiazol-2-ylthio)propyl]xanthine Formula: C12H14N6O2S2 MolecularWeight: 338.40856

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=CS3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=CS3

InChI

InChI=1S/C12H14N6O2S2/c1-16-6-13-9-8(16)10(19)18(12(20)17(9)2)4-3-5-21-11-15-14-7-22-11/h6-7H,3-5H2,1-2H3