N4-(2,4-dimethoxyphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine Openeye Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine CAS Name: N4-(2,4-dimethoxyphenyl)-5-nitro-N6-(4-phenoxyphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2,4-dimethoxyphenyl)-5-nitro-6-N-(4-phenoxyphenyl)pyrimidine-4,6-diamine Traditional Name: [6-(2,4-dimethoxyanilino)-5-nitro-pyrimidin-4-yl]-(4-phenoxyphenyl)amine Formula: C24H21N5O5 MolecularWeight: 459.45404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C24H21N5O5/c1-32-19-12-13-20(21(14-19)33-2)28-24-22(29(30)31)23(25-15-26-24)27-16-8-10-18(11-9-16)34-17-6-4-3-5-7-17/h3-15H,1-2H3,(H2,25,26,27,28)