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

Systemtic Name: (3S)-3-azanyl-1-(3-azanyl-4-bromanyl-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride Openeye Name: (3S)-3-amino-1-(3-amino-4-bromo-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride CAS Name: (3S)-3-amino-1-(3-amino-4-bromophenyl)-4-(1H-imidazol-5-yl)-2-butanone dihydrochloride IUPAC Name: (3S)-3-amino-1-(3-amino-4-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride Traditional Name: (3S)-3-amino-1-(3-amino-4-bromo-phenyl)-4-(1H-imidazol-5-yl)butan-2-one dihydrochloride Formula: C13H17BrCl2N4O MolecularWeight: 396.11028

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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/t12-;;/m0../s1