2-[(2-chloranylquinolin-3-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranylquinolin-3-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-3-quinolyl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(2-chloro-3-quinolinyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(2-chloroquinolin-3-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-3-quinolyl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H18ClN3O2S/c22-19-15(12-14-6-1-3-8-17(14)23-19)13-28-21-24-18-9-4-2-7-16(18)20(27)25(21)10-5-11-26/h1-4,6-9,12,26H,5,10-11,13H2