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

Systemtic Name: N4-(3-bromophenyl)-N6-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(3-bromophenyl)-N6-(4-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(3-bromophenyl)-N6-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-N-(4-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C16H11BrClN5O2 MolecularWeight: 420.64784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrClN5O2/c17-10-2-1-3-13(8-10)22-16-14(23(24)25)15(19-9-20-16)21-12-6-4-11(18)5-7-12/h1-9H,(H2,19,20,21,22)