N6-(3-bromophenyl)-N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-(3-bromophenyl)-N4-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(3-bromophenyl)-N4-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(3-bromophenyl)-N4-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(3-bromophenyl)-4-N-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(5-chloro-2-methyl-phenyl)amine Formula: C17H13BrClN5O2 MolecularWeight: 434.67442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClN5O2/c1-10-5-6-12(19)8-14(10)23-17-15(24(25)26)16(20-9-21-17)22-13-4-2-3-11(18)7-13/h2-9H,1H3,(H2,20,21,22,23)