benzoic acid; 2-(5-bromanylquinoxalin-6-yl)imidazolidin-2-amine

Systemtic Name: benzoic acid; 2-(5-bromanylquinoxalin-6-yl)imidazolidin-2-amine Openeye Name: benzoic acid; 2-(5-bromoquinoxalin-6-yl)imidazolidin-2-amine CAS Name: benzoic acid; 2-(5-bromo-6-quinoxalinyl)-2-imidazolidinamine IUPAC Name: benzoic acid; 2-(5-bromoquinoxalin-6-yl)imidazolidin-2-amine Traditional Name: benzoic acid; [2-(5-bromoquinoxalin-6-yl)imidazolidin-2-yl]amine Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(N1)(C2=C(C3=NC=CN=C3C=C2)Br)N.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CNC(N1)(C2=C(C3=NC=CN=C3C=C2)Br)N.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H12BrN5.C7H6O2/c12-9-7(11(13)16-5-6-17-11)1-2-8-10(9)15-4-3-14-8;8-7(9)6-4-2-1-3-5-6/h1-4,16-17H,5-6,13H2;1-5H,(H,8,9)