2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-3-butan-2-yl-quinazolin-4-one

Systemtic Name: 2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methylsulfanyl]-3-butan-2-yl-quinazolin-4-one Openeye Name: 2-[[4-(difluoromethoxy)-3-methoxy-phenyl]methylsulfanyl]-3-sec-butyl-quinazolin-4-one CAS Name: 3-butan-2-yl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylthio]-4-quinazolinone IUPAC Name: 3-butan-2-yl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 2-[[4-(difluoromethoxy)-3-methoxy-benzyl]thio]-3-sec-butyl-quinazolin-4-one Formula: C21H22F2N2O3S MolecularWeight: 420.472786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC(F)F)OC

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=C(C=C3)OC(F)F)OC

InChI

InChI=1S/C21H22F2N2O3S/c1-4-13(2)25-19(26)15-7-5-6-8-16(15)24-21(25)29-12-14-9-10-17(28-20(22)23)18(11-14)27-3/h5-11,13,20H,4,12H2,1-3H3