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

Systemtic Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-amine Openeye Name: N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-amine CAS Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-amine IUPAC Name: N-[3-(diethylaminomethyl)-4-methoxyphenyl]-6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-amine Traditional Name: diethyl-[2-methoxy-5-[[6-(4-methoxyphenyl)-1,2,4,5-tetrazin-3-yl]amino]benzyl]amine Formula: C21H26N6O2 MolecularWeight: 394.47014

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O2/c1-5-27(6-2)14-16-13-17(9-12-19(16)29-4)22-21-25-23-20(24-26-21)15-7-10-18(28-3)11-8-15/h7-13H,5-6,14H2,1-4H3,(H,22,25,26)