N3-(4-methoxyphenyl)-N6-(phenylmethyl)-1,2,4,5-tetrazine-3,6-diamine

Systemtic Name: N3-(4-methoxyphenyl)-N6-(phenylmethyl)-1,2,4,5-tetrazine-3,6-diamine Openeye Name: N6-benzyl-N3-(4-methoxyphenyl)-1,2,4,5-tetrazine-3,6-diamine CAS Name: N3-(4-methoxyphenyl)-N6-(phenylmethyl)-1,2,4,5-tetrazine-3,6-diamine IUPAC Name: 6-N-benzyl-3-N-(4-methoxyphenyl)-1,2,4,5-tetrazine-3,6-diamine Traditional Name: benzyl-[6-(p-anisidino)-1,2,4,5-tetrazin-3-yl]amine Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN=C(N=N2)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN=C(N=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C16H16N6O/c1-23-14-9-7-13(8-10-14)18-16-21-19-15(20-22-16)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19,20)(H,18,21,22)