N-[4-oxidanylidene-6-(propanoylamino)-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-oxidanylidene-6-(propanoylamino)-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-6-(propanoylamino)-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(prop-2-ynylthio)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-6-(propanoylamino)-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[4-keto-2-(propargylthio)-6-propionamido-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C15H14N4O3S2 MolecularWeight: 362.42666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC#C)NC(=O)C2=CC=CS2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC#C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C15H14N4O3S2/c1-3-7-24-15-18-12(16-10(20)4-2)11(14(22)19-15)17-13(21)9-6-5-8-23-9/h1,5-6,8H,4,7H2,2H3,(H,17,21)(H2,16,18,19,20,22)