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

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

Isomeric SMILES

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

InChI

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