N6-(2,4-dimethylphenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,4-dimethylphenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,4-dimethylphenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,4-dimethylphenyl)-N4-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethylanilino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethylphenyl)amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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