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

Systemtic Name: 8-(5-bromanyl-2-methoxy-phenyl)-5-ethyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(5-bromo-2-methoxy-phenyl)-5-ethyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(5-bromo-2-methoxyphenyl)-5-ethyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(5-bromo-2-methoxyphenyl)-5-ethyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(5-bromo-2-methoxy-phenyl)-5-ethyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C16H15BrN6O3 MolecularWeight: 419.2327

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C16H15BrN6O3/c1-4-22-11-13(24)18-16(25)21(2)14(11)23-12(19-20-15(22)23)9-7-8(17)5-6-10(9)26-3/h5-7H,4H2,1-3H3,(H,18,24,25)