2-[3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-ethanamide

Systemtic Name: 2-[3-[2,4-bis(fluoranyl)phenyl]-6-chloranyl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-ethanamide Openeye Name: 2-[6-chloro-3-(2,4-difluorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[[6-chloro-3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[6-chloro-3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[[6-chloro-3-(2,4-difluorophenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopentyl-acetamide Formula: C21H18ClF2N3O2S MolecularWeight: 449.901326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H18ClF2N3O2S/c22-12-5-7-17-15(9-12)20(29)27(18-8-6-13(23)10-16(18)24)21(26-17)30-11-19(28)25-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,25,28)