N-ethyl-5-nitro-N-phenyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-ethyl-5-nitro-N-phenyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: N-ethyl-6-(4-isopropylphenoxy)-5-nitro-N-phenyl-pyrimidin-4-amine CAS Name: N-ethyl-5-nitro-N-phenyl-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-ethyl-5-nitro-N-phenyl-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: ethyl-[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)C2=C(C(=NC=N2)OC3=CC=C(C=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3/c1-4-24(17-8-6-5-7-9-17)20-19(25(26)27)21(23-14-22-20)28-18-12-10-16(11-13-18)15(2)3/h5-15H,4H2,1-3H3