8-(4-bromophenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 8-(4-bromophenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(4-bromophenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(4-bromophenyl)-5-butyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(4-bromophenyl)-5-butyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(4-bromophenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C17H17BrN6O2 MolecularWeight: 417.25988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)Br

Isomeric SMILES

CCCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H17BrN6O2/c1-3-4-9-23-12-14(25)19-17(26)22(2)15(12)24-13(20-21-16(23)24)10-5-7-11(18)8-6-10/h5-8H,3-4,9H2,1-2H3,(H,19,25,26)