N6-(3,4-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3,4-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3,4-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3,4-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3,4-dimethylphenyl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-12-7-13(2)9-17(8-12)24-20-18(25(26)27)19(21-11-22-20)23-16-6-5-14(3)15(4)10-16/h5-11H,1-4H3,(H2,21,22,23,24)