N1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine

Systemtic Name: N1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-1,2,3,4-tetrazole-1,5-diamine Openeye Name: N1-[(3-bromo-4,5-dimethoxy-phenyl)methyl]tetrazole-1,5-diamine CAS Name: N1-[(3-bromo-4,5-dimethoxyphenyl)methyl]tetrazole-1,5-diamine IUPAC Name: 1-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]tetrazole-1,5-diamine Traditional Name: (5-aminotetrazol-1-yl)-(3-bromo-4,5-dimethoxy-benzyl)amine Formula: C10H13BrN6O2 MolecularWeight: 329.15322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)CNN2C(=NN=N2)N)Br)OC

InChI

InChI=1S/C10H13BrN6O2/c1-18-8-4-6(3-7(11)9(8)19-2)5-13-17-10(12)14-15-16-17/h3-4,13H,5H2,1-2H3,(H2,12,14,16)