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

Systemtic Name: N6-(3-bromophenyl)-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-(2,3-dimethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(2,3-dimethylphenyl)amine Formula: C18H16BrN5O2 MolecularWeight: 414.25594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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