N-[4-oxidanylidene-2-prop-2-ynylsulfanyl-5-(thiophen-2-ylcarbonylamino)-1H-pyrimidin-6-yl]furan-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-2-prop-2-ynylsulfanyl-5-(thiophen-2-ylcarbonylamino)-1H-pyrimidin-6-yl]furan-2-carboxamide Openeye Name: N-[4-oxo-2-prop-2-ynylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-6-yl]furan-2-carboxamide CAS Name: N-[4-oxo-5-[[oxo(thiophen-2-yl)methyl]amino]-2-(prop-2-ynylthio)-1H-pyrimidin-6-yl]-2-furancarboxamide IUPAC Name: N-[4-oxo-2-prop-2-ynylsulfanyl-5-(thiophene-2-carbonylamino)-1H-pyrimidin-6-yl]furan-2-carboxamide Traditional Name: N-[4-keto-2-(propargylthio)-5-(2-thenoylamino)-1H-pyrimidin-6-yl]-2-furamide Formula: C17H12N4O4S2 MolecularWeight: 400.43158

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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=CS3

Isomeric SMILES

C#CCSC1=NC(=O)C(=C(N1)NC(=O)C2=CC=CO2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H12N4O4S2/c1-2-8-27-17-20-13(19-14(22)10-5-3-7-25-10)12(16(24)21-17)18-15(23)11-6-4-9-26-11/h1,3-7,9H,8H2,(H,18,23)(H2,19,20,21,22,24)