7-[(5-azanyl-1,3,4-thiadiazol-2-yl)methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(5-azanyl-1,3,4-thiadiazol-2-yl)methyl]-8-bromanyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-8-bromo-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-8-bromo-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-8-bromo-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-8-bromo-1,3-dimethyl-xanthine Formula: C10H10BrN7O2S MolecularWeight: 372.2011

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=NN=C(S3)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CC3=NN=C(S3)N

InChI

InChI=1S/C10H10BrN7O2S/c1-16-6-5(7(19)17(2)10(16)20)18(8(11)13-6)3-4-14-15-9(12)21-4/h3H2,1-2H3,(H2,12,15)