3-(2-azanyl-3-methyl-4,5-dihydroimidazol-4-yl)-5-bromanyl-6-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-azanyl-3-methyl-4,5-dihydroimidazol-4-yl)-5-bromanyl-6-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 3-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-5-bromo-6-hydroxy-1H-indole-2-carboxylic acid CAS Name: 3-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-5-bromo-6-hydroxy-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-5-bromo-6-hydroxy-1H-indole-2-carboxylic acid Traditional Name: 3-(2-amino-3-methyl-2-imidazolin-4-yl)-5-bromo-6-hydroxy-1H-indole-2-carboxylic acid Formula: C13H13BrN4O3 MolecularWeight: 353.17132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C1N)C2=C(NC3=CC(=C(C=C32)Br)O)C(=O)O

Isomeric SMILES

CN1C(CN=C1N)C2=C(NC3=CC(=C(C=C32)Br)O)C(=O)O

InChI

InChI=1S/C13H13BrN4O3/c1-18-8(4-16-13(18)15)10-5-2-6(14)9(19)3-7(5)17-11(10)12(20)21/h2-3,8,17,19H,4H2,1H3,(H2,15,16)(H,20,21)