1,3,7-trimethyl-8-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]xanthine Formula: C11H12N6O2S3 MolecularWeight: 356.44698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NC(=NS3)SC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NC(=NS3)SC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H12N6O2S3/c1-15-5-6(16(2)11(19)17(3)7(5)18)12-9(15)21-10-13-8(20-4)14-22-10/h1-4H3