N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenethyl-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-phenethylpyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-5-nitro-2-N-phenethylpyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-phenethyl-amine Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC2=NC(=NC(=C2[N+](=O)[O-])N)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N6O4/c1-29-14-8-9-16(30-2)15(12-14)23-19-17(26(27)28)18(21)24-20(25-19)22-11-10-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H4,21,22,23,24,25)