3-[[4-[[4-(cyanomethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-[[4-(cyanomethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-[4-(cyanomethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoro-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-[4-(cyanomethoxy)-3-methylanilino]-5-fluoropyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-[4-(cyanomethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]benzamide Formula: C20H17FN6O2 MolecularWeight: 392.386383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)N)OCC#N

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=CC(=C3)C(=O)N)OCC#N

InChI

InChI=1S/C20H17FN6O2/c1-12-9-15(5-6-17(12)29-8-7-22)25-19-16(21)11-24-20(27-19)26-14-4-2-3-13(10-14)18(23)28/h2-6,9-11H,8H2,1H3,(H2,23,28)(H2,24,25,26,27)