4-[[4-[[4-(1-cyanoethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[[4-(1-cyanoethoxy)-3-methyl-phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[4-(1-cyanoethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[4-(1-cyanoethoxy)-3-methylanilino]-5-fluoro-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[4-(1-cyanoethoxy)-3-methylanilino]-5-fluoropyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[4-(1-cyanoethoxy)-3-methyl-anilino]-5-fluoro-pyrimidin-2-yl]amino]benzamide Formula: C21H19FN6O2 MolecularWeight: 406.412963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN6O2/c1-12-9-16(7-8-18(12)30-13(2)10-23)26-20-17(22)11-25-21(28-20)27-15-5-3-14(4-6-15)19(24)29/h3-9,11,13H,1-2H3,(H2,24,29)(H2,25,26,27,28)