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

Systemtic Name: 7-morpholin-4-ylcarbonyl-3-prop-2-enyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-allyl-7-(morpholine-4-carbonyl)-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 7-[4-morpholinyl(oxo)methyl]-3-prop-2-enyl-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 7-(morpholine-4-carbonyl)-3-prop-2-enyl-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-allyl-7-(morpholine-4-carbonyl)-2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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