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

Systemtic Name: 8-(5-bromanyl-2-methoxy-phenyl)-1-methyl-5-propyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(5-bromo-2-methoxy-phenyl)-1-methyl-5-propyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(5-bromo-2-methoxyphenyl)-1-methyl-5-propylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(5-bromo-2-methoxyphenyl)-1-methyl-5-propylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(5-bromo-2-methoxy-phenyl)-1-methyl-5-propyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CCCN1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C17H17BrN6O3/c1-4-7-23-12-14(25)19-17(26)22(2)15(12)24-13(20-21-16(23)24)10-8-9(18)5-6-11(10)27-3/h5-6,8H,4,7H2,1-3H3,(H,19,25,26)