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

Systemtic Name: N-[4-oxidanylidene-6-(propanoylamino)-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[4-oxo-6-(propanoylamino)-2-(3-pyridylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[4-oxo-6-(1-oxopropylamino)-2-(3-pyridinylmethylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[4-oxo-6-(propanoylamino)-2-(pyridin-3-ylmethylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[4-keto-6-propionamido-2-(3-pyridylmethylthio)-1H-pyrimidin-5-yl]benzamide Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3S/c1-2-15(26)22-17-16(23-18(27)14-8-4-3-5-9-14)19(28)25-20(24-17)29-12-13-7-6-10-21-11-13/h3-11H,2,12H2,1H3,(H,23,27)(H2,22,24,25,26,28)