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

Systemtic Name: N-[4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-acetonylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-2-(2-oxopropylsulfanyl)-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-(acetonylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C15H16N4O4S2 MolecularWeight: 380.44194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O4S2/c1-3-10(21)16-12-11(17-13(22)9-5-4-6-24-9)14(23)19-15(18-12)25-7-8(2)20/h4-6H,3,7H2,1-2H3,(H,17,22)(H2,16,18,19,21,23)