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

Systemtic Name: 8-[(5-azanyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)methylthio]-1,3,7-trimethyl-xanthine Formula: C11H13N7O2S2 MolecularWeight: 339.39662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCC3=NN=C(S3)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCC3=NN=C(S3)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H13N7O2S2/c1-16-6-7(17(2)11(20)18(3)8(6)19)13-10(16)21-4-5-14-15-9(12)22-5/h4H2,1-3H3,(H2,12,15)