6-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(phenylmethyl)-1,2,4,5-tetrazin-3-amine

Systemtic Name: 6-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-N-(phenylmethyl)-1,2,4,5-tetrazin-3-amine Openeye Name: N-benzyl-6-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazin-3-amine CAS Name: 6-(4-bromo-3,5-dimethyl-1-pyrazolyl)-N-(phenylmethyl)-1,2,4,5-tetrazin-3-amine IUPAC Name: N-benzyl-6-(4-bromo-3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-amine Traditional Name: benzyl-[6-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]amine Formula: C14H14BrN7 MolecularWeight: 360.21186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NN=C(N=N2)NCC3=CC=CC=C3)C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=NN=C(N=N2)NCC3=CC=CC=C3)C)Br

InChI

InChI=1S/C14H14BrN7/c1-9-12(15)10(2)22(21-9)14-19-17-13(18-20-14)16-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17,18)