N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C16H15F2N3O4S MolecularWeight: 383.369806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CCC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

InChI

InChI=1S/C16H15F2N3O4S/c1-8-10(14(23)21-15(19-8)26-2)4-6-13(22)20-9-3-5-11-12(7-9)25-16(17,18)24-11/h3,5,7H,4,6H2,1-2H3,(H,20,22)(H,19,21,23)