N-[2-(3-methylbutylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-(3-methylbutylsulfanyl)-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-isopentylsulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[2-(3-methylbutylthio)-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-(3-methylbutylsulfanyl)-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-(isoamylthio)-4-keto-6-propionamido-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S2/c1-4-12(22)18-14-13(19-15(23)11-6-5-8-25-11)16(24)21-17(20-14)26-9-7-10(2)3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,23)(H2,18,20,21,22,24)