N-[2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-[2-(1,3-dioxolan-2-yl)ethylthio]-4-keto-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCCC2OCCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCCC2OCCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O5S/c1-2-13(24)20-16-15(21-17(25)12-6-4-3-5-7-12)18(26)23-19(22-16)29-11-8-14-27-9-10-28-14/h3-7,14H,2,8-11H2,1H3,(H,21,25)(H2,20,22,23,24,26)