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

Systemtic Name: N-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide CAS Name: N-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinyl]amino]phenyl]acetamide IUPAC Name: N-[4-[[5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]amino]phenyl]acetamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-13(2)15-4-10-18(11-5-15)30-21-19(26(28)29)20(22-12-23-21)25-17-8-6-16(7-9-17)24-14(3)27/h4-13H,1-3H3,(H,24,27)(H,22,23,25)