3-butan-2-yl-2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-butan-2-yl-2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-3-sec-butyl-quinazolin-4-one CAS Name: 3-butan-2-yl-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-4-quinazolinone IUPAC Name: 3-butan-2-yl-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-3-sec-butyl-quinazolin-4-one Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-3-13(2)24-20(25)15-6-4-5-7-17(15)23-21(24)28-12-14-10-16(22)19-18(11-14)26-8-9-27-19/h4-7,10-11,13H,3,8-9,12H2,1-2H3