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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(C)N1C2=C(N(C(=O)NC2=O)C)N3C1=NN=C3C4=C(C=CC(=C4)Br)OC

InChI

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