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

Systemtic Name: N-(1-adamantyl)-3-[2-[bis(fluoranyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanamide Openeye Name: N-(1-adamantyl)-3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanamide CAS Name: N-(1-adamantyl)-3-[2-(difluoromethylthio)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-(1-adamantyl)-3-[2-(difluoromethylsulfanyl)-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanamide Traditional Name: N-(1-adamantyl)-3-[2-(difluoromethylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]propionamide Formula: C19H25F2N3O2S MolecularWeight: 397.482506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(F)F)CCC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(F)F)CCC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25F2N3O2S/c1-10-14(16(26)23-18(22-10)27-17(20)21)2-3-15(25)24-19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13,17H,2-9H2,1H3,(H,24,25)(H,22,23,26)