3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 6-chloro-3-(2,4-difluorophenyl)-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-3-(2,4-difluorophenyl)-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 6-chloro-3-(2,4-difluorophenyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 6-chloro-3-(2,4-difluorophenyl)-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C21H18ClF2N3O2S MolecularWeight: 449.901326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H18ClF2N3O2S/c22-13-4-6-17-15(10-13)20(29)27(18-7-5-14(23)11-16(18)24)21(25-17)30-12-19(28)26-8-2-1-3-9-26/h4-7,10-11H,1-3,8-9,12H2