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

Systemtic Name: 3,7-dimethyl-1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[[5-(methylthio)-1,3,4-thiadiazol-2-yl]thio]propyl]xanthine Formula: C13H16N6O2S3 MolecularWeight: 384.50014

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(S3)SC

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCSC3=NN=C(S3)SC

InChI

InChI=1S/C13H16N6O2S3/c1-17-7-14-9-8(17)10(20)19(13(21)18(9)2)5-4-6-23-12-16-15-11(22-3)24-12/h7H,4-6H2,1-3H3