N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(2-allylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-enylthio)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidin-5-yl)-3,4-difluorobenzamide Traditional Name: N-[2-(allylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C14H12F2N4O2S MolecularWeight: 338.332486

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

C=CCSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C14H12F2N4O2S/c1-2-5-23-14-19-11(17)10(13(22)20-14)18-12(21)7-3-4-8(15)9(16)6-7/h2-4,6H,1,5H2,(H,18,21)(H3,17,19,20,22)