N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(pyrimidin-2-ylamino)benzamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(pyrimidin-2-ylamino)benzamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(pyrimidin-2-ylamino)benzamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-pyrimidinylamino)benzamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(pyrimidin-2-ylamino)benzamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-pyrimidylamino)benzamide Formula: C18H12F2N4O3 MolecularWeight: 370.309686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C18H12F2N4O3/c19-18(20)26-14-6-5-13(10-15(14)27-18)23-16(25)11-3-1-4-12(9-11)24-17-21-7-2-8-22-17/h1-10H,(H,23,25)(H,21,22,24)