2,2-bis(fluoranyl)-N-[(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide

Systemtic Name: 2,2-bis(fluoranyl)-N-[(1-methyl-6-oxidanylidene-4-pyrimidin-4-yl-pyrimidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide Openeye Name: 2,2-difluoro-N-[(1-methyl-6-oxo-4-pyrimidin-4-yl-pyrimidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide CAS Name: 2,2-difluoro-N-[[1-methyl-6-oxo-4-(4-pyrimidinyl)-2-pyrimidinyl]methyl]-1,3-benzodioxole-4-carboxamide IUPAC Name: 2,2-difluoro-N-[(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)methyl]-1,3-benzodioxole-4-carboxamide Traditional Name: 2,2-difluoro-N-[[6-keto-1-methyl-4-(4-pyrimidyl)pyrimidin-2-yl]methyl]-1,3-benzodioxole-4-carboxamide Formula: C18H13F2N5O4 MolecularWeight: 401.323726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1CNC(=O)C2=C3C(=CC=C2)OC(O3)(F)F)C4=NC=NC=C4

Isomeric SMILES

CN1C(=O)C=C(N=C1CNC(=O)C2=C3C(=CC=C2)OC(O3)(F)F)C4=NC=NC=C4

InChI

InChI=1S/C18H13F2N5O4/c1-25-14(24-12(7-15(25)26)11-5-6-21-9-23-11)8-22-17(27)10-3-2-4-13-16(10)29-18(19,20)28-13/h2-7,9H,8H2,1H3,(H,22,27)