6-[5-bromanyl-2-(phenoxymethyl)phenyl]-N4-(4-nitrophenyl)pyrimidine-2,4-diamine

Systemtic Name: 6-[5-bromanyl-2-(phenoxymethyl)phenyl]-N4-(4-nitrophenyl)pyrimidine-2,4-diamine Openeye Name: 6-[5-bromo-2-(phenoxymethyl)phenyl]-N4-(4-nitrophenyl)pyrimidine-2,4-diamine CAS Name: 6-[5-bromo-2-(phenoxymethyl)phenyl]-N4-(4-nitrophenyl)pyrimidine-2,4-diamine IUPAC Name: 6-[5-bromo-2-(phenoxymethyl)phenyl]-4-N-(4-nitrophenyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-[5-bromo-2-(phenoxymethyl)phenyl]pyrimidin-4-yl]-(4-nitrophenyl)amine Formula: C23H18BrN5O3 MolecularWeight: 492.32472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(C=C(C=C2)Br)C3=CC(=NC(=N3)N)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(C=C(C=C2)Br)C3=CC(=NC(=N3)N)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H18BrN5O3/c24-16-7-6-15(14-32-19-4-2-1-3-5-19)20(12-16)21-13-22(28-23(25)27-21)26-17-8-10-18(11-9-17)29(30)31/h1-13H,14H2,(H3,25,26,27,28)