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

Systemtic Name: N-(6-azanyl-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-3,4-difluoro-benzamide CAS Name: N-[6-amino-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-3,4-difluorobenzamide IUPAC Name: N-(6-amino-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-3,4-difluorobenzamide Traditional Name: N-[6-amino-4-keto-2-(propargylthio)-1H-pyrimidin-5-yl]-3,4-difluoro-benzamide Formula: C14H10F2N4O2S MolecularWeight: 336.316606

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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/C14H10F2N4O2S/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/h1,3-4,6H,5H2,(H,18,21)(H3,17,19,20,22)