8-(5-bromanyl-2-methoxy-phenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione

Systemtic Name: 8-(5-bromanyl-2-methoxy-phenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(5-bromo-2-methoxy-phenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(5-bromo-2-methoxyphenyl)-1-methyl-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(5-bromo-2-methoxyphenyl)-1-methyl-5-phenethylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(5-bromo-2-methoxy-phenyl)-1-methyl-5-phenethyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C22H19BrN6O3 MolecularWeight: 495.32866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=C(C=CC(=C4)Br)OC)CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C3=NN=C(N23)C4=C(C=CC(=C4)Br)OC)CCC5=CC=CC=C5

InChI

InChI=1S/C22H19BrN6O3/c1-27-20-17(19(30)24-22(27)31)28(11-10-13-6-4-3-5-7-13)21-26-25-18(29(20)21)15-12-14(23)8-9-16(15)32-2/h3-9,12H,10-11H2,1-2H3,(H,24,30,31)