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

Systemtic Name: 8-(5-bromanyl-2-methoxy-phenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione Openeye Name: 8-(5-bromo-2-methoxy-phenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-dione CAS Name: 8-(5-bromo-2-methoxyphenyl)-5-butyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione IUPAC Name: 8-(5-bromo-2-methoxyphenyl)-5-butyl-1-methylpurino[8,9-c][1,2,4]triazole-2,4-dione Traditional Name: 8-(5-bromo-2-methoxy-phenyl)-5-butyl-1-methyl-purino[8,9-c][1,2,4]triazole-2,4-quinone Formula: C18H19BrN6O3 MolecularWeight: 447.28586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O3/c1-4-5-8-24-13-15(26)20-18(27)23(2)16(13)25-14(21-22-17(24)25)11-9-10(19)6-7-12(11)28-3/h6-7,9H,4-5,8H2,1-3H3,(H,20,26,27)