(E)-3-(6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide

Systemtic Name: (E)-3-(6-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide Openeye Name: (E)-3-(6-methylsulfanyl-4-oxo-quinazolin-3-yl)-N-[4-(3-pyridyl)butyl]prop-2-enamide CAS Name: (E)-3-[6-(methylthio)-4-oxo-3-quinazolinyl]-N-[4-(3-pyridinyl)butyl]-2-propenamide IUPAC Name: (E)-3-(6-methylsulfanyl-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide Traditional Name: (E)-3-[4-keto-6-(methylthio)quinazolin-3-yl]-N-[4-(3-pyridyl)butyl]acrylamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=CN(C2=O)C=CC(=O)NCCCCC3=CN=CC=C3

Isomeric SMILES

CSC1=CC2=C(C=C1)N=CN(C2=O)/C=C/C(=O)NCCCCC3=CN=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-28-17-7-8-19-18(13-17)21(27)25(15-24-19)12-9-20(26)23-11-3-2-5-16-6-4-10-22-14-16/h4,6-10,12-15H,2-3,5,11H2,1H3,(H,23,26)/b12-9+