6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-7aH-2-benzofuran-1-one

Systemtic Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoranyl-pyrimidin-2-yl]amino]-7aH-2-benzofuran-1-one Openeye Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-7aH-isobenzofuran-1-one CAS Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-2-pyrimidinyl]amino]-7aH-isobenzofuran-1-one IUPAC Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]-7aH-2-benzofuran-1-one Traditional Name: 6-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoro-pyrimidin-2-yl]amino]-7aH-isobenzofuran-1-one Formula: C20H15FN4O4 MolecularWeight: 394.355903

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5C(=COC5=O)C=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC5C(=COC5=O)C=C4

InChI

InChI=1S/C20H15FN4O4/c21-15-9-22-20(24-12-2-1-11-10-29-19(26)14(11)7-12)25-18(15)23-13-3-4-16-17(8-13)28-6-5-27-16/h1-4,7-10,14H,5-6H2,(H2,22,23,24,25)