N4-(3-bromophenyl)-N6-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Br)Cl

InChI

InChI=1S/C17H13BrClN5O2/c18-12-5-3-6-13(8-12)23-17-15(24(25)26)16(21-10-22-17)20-9-11-4-1-2-7-14(11)19/h1-8,10H,9H2,(H2,20,21,22,23)