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

Systemtic Name: N-[4-oxidanylidene-2-(phenylmethylsulfanyl)-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-benzylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(phenylmethylthio)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-benzylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-(benzylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N4O3S2/c1-2-14(24)20-16-15(21-17(25)13-9-6-10-27-13)18(26)23-19(22-16)28-11-12-7-4-3-5-8-12/h3-10H,2,11H2,1H3,(H,21,25)(H2,20,22,23,24,26)