5-nitro-N-(phenylmethyl)-6-(4-propan-2-ylphenoxy)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-(4-propan-2-ylphenoxy)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-isopropylphenoxy)-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(4-propan-2-ylphenoxy)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-(4-propan-2-ylphenoxy)-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)C4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(CC3=CC=CC=C3)C4=CC=CC=N4

InChI

InChI=1S/C25H23N5O3/c1-18(2)20-11-13-21(14-12-20)33-25-23(30(31)32)24(27-17-28-25)29(22-10-6-7-15-26-22)16-19-8-4-3-5-9-19/h3-15,17-18H,16H2,1-2H3