N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)-2-(2-quinolylsulfanyl)acetamide CAS Name: N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)-2-(2-quinolinylthio)acetamide IUPAC Name: N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)-2-(2-quinolylthio)acetamide Formula: C23H20N4O3S MolecularWeight: 432.4949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20N4O3S/c28-20-14-19(27(23(30)26-20)13-12-16-6-2-1-3-7-16)25-21(29)15-31-22-11-10-17-8-4-5-9-18(17)24-22/h1-11,14H,12-13,15H2,(H,25,29)(H,26,28,30)