N-(5-benzamido-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)furan-2-carboxamide

Systemtic Name: N-(5-benzamido-4-oxidanylidene-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)furan-2-carboxamide Openeye Name: N-(5-benzamido-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)furan-2-carboxamide CAS Name: N-[5-benzamido-4-oxo-2-(prop-2-ynylthio)-1H-pyrimidin-6-yl]-2-furancarboxamide IUPAC Name: N-(5-benzamido-4-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-6-yl)furan-2-carboxamide Traditional Name: N-[5-benzamido-4-keto-2-(propargylthio)-1H-pyrimidin-6-yl]-2-furamide Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C(=C(N1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCSC1=NC(=O)C(=C(N1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H14N4O4S/c1-2-11-28-19-22-15(21-17(25)13-9-6-10-27-13)14(18(26)23-19)20-16(24)12-7-4-3-5-8-12/h1,3-10H,11H2,(H,20,24)(H2,21,22,23,25,26)