(1R)-N-(4-bromophenyl)-1-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine

Systemtic Name: (1R)-N-(4-bromophenyl)-1-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine Openeye Name: (1R)-N-(4-bromophenyl)-1-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine CAS Name: (1R)-N-(4-bromophenyl)-1-[3-(4-pyrimidinyl)-1H-1,2,4-triazol-5-yl]ethane-1,2-diamine IUPAC Name: (1R)-N-(4-bromophenyl)-1-(3-pyrimidin-4-yl-1H-1,2,4-triazol-5-yl)ethane-1,2-diamine Traditional Name: [(1R)-2-amino-1-[3-(4-pyrimidyl)-1H-1,2,4-triazol-5-yl]ethyl]-(4-bromophenyl)amine Formula: C14H14BrN7 MolecularWeight: 360.21186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(CN)C2=NC(=NN2)C3=NC=NC=C3)Br

Isomeric SMILES

C1=CC(=CC=C1N[C@H](CN)C2=NC(=NN2)C3=NC=NC=C3)Br

InChI

InChI=1S/C14H14BrN7/c15-9-1-3-10(4-2-9)19-12(7-16)14-20-13(21-22-14)11-5-6-17-8-18-11/h1-6,8,12,19H,7,16H2,(H,20,21,22)/t12-/m1/s1