3-(2-azanylidene-1,3-dimethyl-imidazolidin-4-yl)-5-bromanyl-6-oxidanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-azanylidene-1,3-dimethyl-imidazolidin-4-yl)-5-bromanyl-6-oxidanyl-1H-indole-2-carboxylic acid Openeye Name: 5-bromo-6-hydroxy-3-(2-imino-1,3-dimethyl-imidazolidin-4-yl)-1H-indole-2-carboxylic acid CAS Name: 5-bromo-6-hydroxy-3-(2-imino-1,3-dimethyl-4-imidazolidinyl)-1H-indole-2-carboxylic acid IUPAC Name: 5-bromo-6-hydroxy-3-(2-imino-1,3-dimethylimidazolidin-4-yl)-1H-indole-2-carboxylic acid Traditional Name: 5-bromo-6-hydroxy-3-(2-imino-1,3-dimethyl-imidazolidin-4-yl)-1H-indole-2-carboxylic acid Formula: C14H15BrN4O3 MolecularWeight: 367.1979

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(N(C1=N)C)C2=C(NC3=CC(=C(C=C32)Br)O)C(=O)O

Isomeric SMILES

CN1CC(N(C1=N)C)C2=C(NC3=CC(=C(C=C32)Br)O)C(=O)O

InChI

InChI=1S/C14H15BrN4O3/c1-18-5-9(19(2)14(18)16)11-6-3-7(15)10(20)4-8(6)17-12(11)13(21)22/h3-4,9,16-17,20H,5H2,1-2H3,(H,21,22)