2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(3-methoxypropyl)-4-quinazolinone IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(3-methoxypropyl)quinazolin-4-one Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(3-methoxypropyl)quinazolin-4-one Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C20H19ClN2O4S/c1-25-8-4-7-23-19(24)14-5-2-3-6-16(14)22-20(23)28-11-13-9-15(21)18-17(10-13)26-12-27-18/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3