N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-5-nitro-N4-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-5-nitro-4-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(p-anisylamino)pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C24H21N5O4 MolecularWeight: 443.45464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21N5O4/c1-32-19-11-7-17(8-12-19)15-25-23-22(29(30)31)24(27-16-26-23)28-18-9-13-21(14-10-18)33-20-5-3-2-4-6-20/h2-14,16H,15H2,1H3,(H2,25,26,27,28)