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

Systemtic Name: N2-(2,5-dimethoxyphenyl)-N4-(3-methylphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(2,5-dimethoxyphenyl)-N4-(m-tolyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(2,5-dimethoxyphenyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(2,5-dimethoxyphenyl)-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(2,5-dimethoxyanilino)-5-nitro-pyrimidin-4-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(=NC(=C2[N+](=O)[O-])N)NC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC(=NC(=C2[N+](=O)[O-])N)NC3=C(C=CC(=C3)OC)OC

InChI

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