7-morpholin-4-ylcarbonyl-3-prop-2-enyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 7-morpholin-4-ylcarbonyl-3-prop-2-enyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-allyl-7-(morpholine-4-carbonyl)-2-(4-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-3-prop-2-enyl-2-(pyridin-4-ylmethylthio)-4-quinazolinone IUPAC Name: 7-(morpholine-4-carbonyl)-3-prop-2-enyl-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-allyl-7-(morpholine-4-carbonyl)-2-(4-pyridylmethylthio)quinazolin-4-one Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1SCC4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCOCC3)N=C1SCC4=CC=NC=C4

InChI

InChI=1S/C22H22N4O3S/c1-2-9-26-21(28)18-4-3-17(20(27)25-10-12-29-13-11-25)14-19(18)24-22(26)30-15-16-5-7-23-8-6-16/h2-8,14H,1,9-13,15H2