5-nitro-N4-(4-phenoxyphenyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(4-phenoxyphenyl)-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]amine Formula: C23H19N5O3 MolecularWeight: 413.42866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H19N5O3/c29-28(30)21-22(24-15-17-7-3-1-4-8-17)25-16-26-23(21)27-18-11-13-20(14-12-18)31-19-9-5-2-6-10-19/h1-14,16H,15H2,(H2,24,25,26,27)