N2-(3,4-dimethylphenyl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine

Systemtic Name: N2-(3,4-dimethylphenyl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine Openeye Name: N2-(3,4-dimethylphenyl)-N4-(4-methoxyphenyl)-5-nitro-pyrimidine-2,4,6-triamine CAS Name: N2-(3,4-dimethylphenyl)-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine IUPAC Name: 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine Traditional Name: [6-amino-2-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(4-methoxyphenyl)amine Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O3/c1-11-4-5-14(10-12(11)2)22-19-23-17(20)16(25(26)27)18(24-19)21-13-6-8-15(28-3)9-7-13/h4-10H,1-3H3,(H4,20,21,22,23,24)