N-[3-[[2-[(6-cyclobutyloxypyridin-3-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenyl]prop-2-enamide

Systemtic Name: N-[3-[[2-[(6-cyclobutyloxypyridin-3-yl)amino]-5-fluoranyl-pyrimidin-4-yl]amino]phenyl]prop-2-enamide Openeye Name: N-[3-[[2-[[6-(cyclobutoxy)-3-pyridyl]amino]-5-fluoro-pyrimidin-4-yl]amino]phenyl]prop-2-enamide CAS Name: N-[3-[[2-[(6-cyclobutyloxy-3-pyridinyl)amino]-5-fluoro-4-pyrimidinyl]amino]phenyl]-2-propenamide IUPAC Name: N-[3-[[2-[(6-cyclobutyloxypyridin-3-yl)amino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide Traditional Name: N-[3-[[2-[[6-(cyclobutoxy)-3-pyridyl]amino]-5-fluoro-pyrimidin-4-yl]amino]phenyl]acrylamide Formula: C22H21FN6O2 MolecularWeight: 420.439543

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CN=C(C=C3)OC4CCC4

Isomeric SMILES

C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CN=C(C=C3)OC4CCC4

InChI

InChI=1S/C22H21FN6O2/c1-2-19(30)26-14-5-3-6-15(11-14)27-21-18(23)13-25-22(29-21)28-16-9-10-20(24-12-16)31-17-7-4-8-17/h2-3,5-6,9-13,17H,1,4,7-8H2,(H,26,30)(H2,25,27,28,29)