8-[[4-azanyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[4-azanyl-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[4-amino-5-(4-bromophenyl)-1,2,4-triazol-3-yl]thio]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C15H13BrN8O2S MolecularWeight: 449.28512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3N)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SC3=NN=C(N3N)C4=CC=C(C=C4)Br

InChI

InChI=1S/C15H13BrN8O2S/c1-22-11-9(12(25)23(2)15(22)26)18-13(19-11)27-14-21-20-10(24(14)17)7-3-5-8(16)6-4-7/h3-6H,17H2,1-2H3,(H,18,19)