5-nitro-N6-(4-phenoxyphenyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-(4-phenoxyphenyl)-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-phenoxyphenyl)-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-(4-phenoxyphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(4-phenoxyanilino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C28H22N6O3 MolecularWeight: 490.51268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H22N6O3/c35-34(36)26-27(32-22-14-16-24(17-15-22)37-23-11-5-2-6-12-23)30-20-31-28(26)33(25-13-7-8-18-29-25)19-21-9-3-1-4-10-21/h1-18,20H,19H2,(H,30,31,32)