(3S)-3-azanyl-1-(3-azanyl-4-bromanyl-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride

Systemtic Name: (3S)-3-azanyl-1-(3-azanyl-4-bromanyl-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride Openeye Name: (3S)-3-amino-1-(3-amino-4-bromo-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride CAS Name: (3S)-3-amino-1-(3-amino-4-bromophenyl)-4-(1H-imidazol-5-yl)-2-butanone dichloride IUPAC Name: (3S)-3-amino-1-(3-amino-4-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride Traditional Name: (3S)-3-amino-1-(3-amino-4-bromo-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dichloride Formula: C13H15BrCl2N4O-2 MolecularWeight: 394.0944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(=O)C(CC2=CN=CN2)N)N)Br.[Cl-].[Cl-]

Isomeric SMILES

C1=CC(=C(C=C1CC(=O)[C@H](CC2=CN=CN2)N)N)Br.[Cl-].[Cl-]

InChI

InChI=1S/C13H15BrN4O.2ClH/c14-10-2-1-8(3-11(10)15)4-13(19)12(16)5-9-6-17-7-18-9;;/h1-3,6-7,12H,4-5,15-16H2,(H,17,18);2*1H/p-2/t12-;;/m0../s1