N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]-3,4-bis(fluoranyl)benzamide Openeye Name: N-(2-acetonylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide Traditional Name: N-[2-(acetonylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C14H12F2N4O3S MolecularWeight: 354.331886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H12F2N4O3S/c1-6(21)5-24-14-19-11(17)10(13(23)20-14)18-12(22)7-2-3-8(15)9(16)4-7/h2-4H,5H2,1H3,(H,18,22)(H3,17,19,20,23)