6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(4-chloranyl-3,5-dimethyl-phenoxy)-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-chloro-3,5-dimethylphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-(4-chloro-3,5-dimethyl-phenoxy)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H20ClN5O3 MolecularWeight: 461.9003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C24H20ClN5O3/c1-16-12-19(13-17(2)21(16)25)33-24-22(30(31)32)23(27-15-28-24)29(20-10-6-7-11-26-20)14-18-8-4-3-5-9-18/h3-13,15H,14H2,1-2H3