N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine

Systemtic Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine Openeye Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(p-tolyl)-1,2,4,5-tetrazin-3-amine CAS Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine IUPAC Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(4-methylphenyl)-1,2,4,5-tetrazin-3-amine Traditional Name: diethyl-[2-methoxy-5-[[6-(p-tolyl)-1,2,4,5-tetrazin-3-yl]amino]benzyl]amine Formula: C21H26N6O MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C=CC(=C1)NC2=NN=C(N=N2)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CCN(CC)CC1=C(C=CC(=C1)NC2=NN=C(N=N2)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C21H26N6O/c1-5-27(6-2)14-17-13-18(11-12-19(17)28-4)22-21-25-23-20(24-26-21)16-9-7-15(3)8-10-16/h7-13H,5-6,14H2,1-4H3,(H,22,25,26)