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

Systemtic Name: 6-(3-bromophenyl)-N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-1,2,4,5-tetrazin-3-amine Openeye Name: 6-(3-bromophenyl)-N-[3-(diethylaminomethyl)-4-methoxy-phenyl]-1,2,4,5-tetrazin-3-amine CAS Name: 6-(3-bromophenyl)-N-[3-(diethylaminomethyl)-4-methoxyphenyl]-1,2,4,5-tetrazin-3-amine IUPAC Name: 6-(3-bromophenyl)-N-[3-(diethylaminomethyl)-4-methoxyphenyl]-1,2,4,5-tetrazin-3-amine Traditional Name: [5-[[6-(3-bromophenyl)-1,2,4,5-tetrazin-3-yl]amino]-2-methoxy-benzyl]-diethyl-amine Formula: C20H23BrN6O MolecularWeight: 443.34022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN6O/c1-4-27(5-2)13-15-12-17(9-10-18(15)28-3)22-20-25-23-19(24-26-20)14-7-6-8-16(21)11-14/h6-12H,4-5,13H2,1-3H3,(H,22,25,26)