5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-2-morpholin-4-ylcarbonyl-1-benzofuran-3-one

Systemtic Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-2-morpholin-4-ylcarbonyl-1-benzofuran-3-one Openeye Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-2-(morpholine-4-carbonyl)benzofuran-3-one CAS Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]-2-[4-morpholinyl(oxo)methyl]-3-benzofuranone IUPAC Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]-2-(morpholine-4-carbonyl)-1-benzofuran-3-one Traditional Name: 5-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-2-(morpholine-4-carbonyl)coumaran-3-one Formula: C25H22FN5O6 MolecularWeight: 507.470483

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2C(=O)C3=C(O2)C=CC(=C3)NC4=NC=C(C(=N4)NC5=CC6=C(C=C5)OCCO6)F

Isomeric SMILES

C1COCCN1C(=O)C2C(=O)C3=C(O2)C=CC(=C3)NC4=NC=C(C(=N4)NC5=CC6=C(C=C5)OCCO6)F

InChI

InChI=1S/C25H22FN5O6/c26-17-13-27-25(30-23(17)28-15-2-4-19-20(12-15)36-10-9-35-19)29-14-1-3-18-16(11-14)21(32)22(37-18)24(33)31-5-7-34-8-6-31/h1-4,11-13,22H,5-10H2,(H2,27,28,29,30)