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

Systemtic Name: 8-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1,3,7-trimethyl-xanthine Formula: C10H11N7O2S2 MolecularWeight: 325.37004

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=NN=C(S3)N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=NN=C(S3)N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C10H11N7O2S2/c1-15-4-5(16(2)10(19)17(3)6(4)18)12-8(15)21-9-14-13-7(11)20-9/h1-3H3,(H2,11,13)