N6-(2,3-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(2,3-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2,3-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2,3-dimethylphenyl)-N4-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2,3-dimethylphenyl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2,3-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(=CC=C1)NC2=C(C(=NC=N2)NC3=CC(=CC(=C3)C)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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