(E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-(2-pyridin-4-ylsulfanylethyl)prop-2-enamide

Systemtic Name: (E)-3-(4-oxidanylidene-6-propan-2-yl-quinazolin-3-yl)-N-(2-pyridin-4-ylsulfanylethyl)prop-2-enamide Openeye Name: (E)-3-(6-isopropyl-4-oxo-quinazolin-3-yl)-N-[2-(4-pyridylsulfanyl)ethyl]prop-2-enamide CAS Name: (E)-3-(4-oxo-6-propan-2-yl-3-quinazolinyl)-N-[2-(pyridin-4-ylthio)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-oxo-6-propan-2-ylquinazolin-3-yl)-N-(2-pyridin-4-ylsulfanylethyl)prop-2-enamide Traditional Name: (E)-3-(6-isopropyl-4-keto-quinazolin-3-yl)-N-[2-(4-pyridylthio)ethyl]acrylamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)NCCSC3=CC=NC=C3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)NCCSC3=CC=NC=C3

InChI

InChI=1S/C21H22N4O2S/c1-15(2)16-3-4-19-18(13-16)21(27)25(14-24-19)11-7-20(26)23-10-12-28-17-5-8-22-9-6-17/h3-9,11,13-15H,10,12H2,1-2H3,(H,23,26)/b11-7+