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

Systemtic Name: N6-(4-bromophenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(4-bromophenyl)-N4-(2,5-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(4-bromophenyl)-N4-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(4-bromophenyl)-4-N-(2,5-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(4-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2,5-dimethylphenyl)amine Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O2/c1-11-3-4-12(2)15(9-11)23-18-16(24(25)26)17(20-10-21-18)22-14-7-5-13(19)6-8-14/h3-10H,1-2H3,(H2,20,21,22,23)