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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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