N4-(2,5-dimethoxyphenyl)-N2-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N4-(2,5-dimethoxyphenyl)-N2-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N4-(2,5-dimethoxyphenyl)-N2-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 4-N-(2,5-dimethoxyphenyl)-2-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [4-amino-6-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-2-yl]-(m-tolyl)amine Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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