2-[3-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]imino-N-methyl-ethanamide

Systemtic Name: 2-[3-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]phenyl]imino-N-methyl-ethanamide Openeye Name: 2-[3-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]imino-N-methyl-acetamide CAS Name: 2-[3-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-2-pyrimidinyl]amino]phenyl]imino-N-methylacetamide IUPAC Name: 2-[3-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]imino-N-methylacetamide Traditional Name: 2-[3-[[4-(3,4-dihydro-1,2-benzodioxin-7-ylamino)-5-fluoro-pyrimidin-2-yl]amino]phenyl]imino-N-methyl-acetamide Formula: C21H19FN6O3 MolecularWeight: 422.412363

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C=NC1=CC(=CC=C1)NC2=NC=C(C(=N2)NC3=CC4=C(CCOO4)C=C3)F

Isomeric SMILES

CNC(=O)C=NC1=CC(=CC=C1)NC2=NC=C(C(=N2)NC3=CC4=C(CCOO4)C=C3)F

InChI

InChI=1S/C21H19FN6O3/c1-23-19(29)12-24-14-3-2-4-15(9-14)27-21-25-11-17(22)20(28-21)26-16-6-5-13-7-8-30-31-18(13)10-16/h2-6,9-12H,7-8H2,1H3,(H,23,29)(H2,25,26,27,28)