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

Systemtic Name: N6-(2-chlorophenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(2-chlorophenyl)-N4-(3,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(2-chlorophenyl)-N4-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(2-chlorophenyl)-4-N-(3,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(2-chloroanilino)-5-nitro-pyrimidin-4-yl]-(3,5-dimethylphenyl)amine Formula: C18H16ClN5O2 MolecularWeight: 369.80494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3Cl)C

InChI

InChI=1S/C18H16ClN5O2/c1-11-7-12(2)9-13(8-11)22-17-16(24(25)26)18(21-10-20-17)23-15-6-4-3-5-14(15)19/h3-10H,1-2H3,(H2,20,21,22,23)