3-[(2S)-butan-2-yl]-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(2S)-butan-2-yl]-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-3-[(1S)-1-methylpropyl]quinazolin-4-one CAS Name: 3-[(2S)-butan-2-yl]-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-4-quinazolinone IUPAC Name: 3-[(2S)-butan-2-yl]-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-3-[(1S)-1-methylpropyl]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=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CC[C@H](C)N1C(=O)C2=CC=CC=C2N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C21H21ClN2O3S/c1-3-13(2)24-20(25)17-6-4-5-7-18(17)23-21(24)28-11-15-9-16(22)8-14-10-26-12-27-19(14)15/h4-9,13H,3,10-12H2,1-2H3/t13-/m0/s1