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

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(4-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-5-nitro-N2-(p-tolyl)pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(4-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(p-tolyl)amine Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=C(C(=N2)NC3=C(C=CC(=C3)OC)OC)[N+](=O)[O-])N

InChI

InChI=1S/C19H20N6O4/c1-11-4-6-12(7-5-11)21-19-23-17(20)16(25(26)27)18(24-19)22-14-10-13(28-2)8-9-15(14)29-3/h4-10H,1-3H3,(H4,20,21,22,23,24)