1-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C21H20N4O4 MolecularWeight: 392.4079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H20N4O4/c1-13(2)15-6-10-18(11-7-15)29-21-19(25(27)28)20(22-12-23-21)24-17-8-4-16(5-9-17)14(3)26/h4-13H,1-3H3,(H,22,23,24)