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

Systemtic Name: N-[4-oxidanylidene-6-(propanoylamino)-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Openeye Name: N-[4-oxo-6-(propanoylamino)-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-oxo-6-(propanoylamino)-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Traditional Name: N-[4-keto-6-propionamido-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]thiophene-2-carboxamide Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S2/c1-2-13(24)20-15-14(21-16(25)12-6-4-8-27-12)17(26)23-18(22-15)28-10-11-5-3-7-19-9-11/h3-9H,2,10H2,1H3,(H,21,25)(H2,20,22,23,24,26)