N-[4-oxidanylidene-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[4-oxidanylidene-2-[2-oxidanylidene-2-(propylamino)ethyl]sulfanyl-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-[[2-oxo-2-(propylamino)ethyl]thio]-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[4-oxo-2-[2-oxo-2-(propylamino)ethyl]sulfanyl-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[4-keto-2-[[2-keto-2-(propylamino)ethyl]thio]-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)CC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23N5O4S/c1-3-10-20-14(26)11-29-19-23-16(21-13(25)4-2)15(18(28)24-19)22-17(27)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,20,26)(H,22,27)(H2,21,23,24,25,28)