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

Systemtic Name: N-[2-(cyanomethylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-(cyanomethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[2-(cyanomethylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-(cyanomethylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-(cyanomethylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O3S2/c1-2-9(20)16-11-10(17-12(21)8-4-3-6-23-8)13(22)19-14(18-11)24-7-5-15/h3-4,6H,2,7H2,1H3,(H,17,21)(H2,16,18,19,20,22)