2-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-[[2,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-cyclohexyl-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-2-[(2,5-difluorophenyl)methylsulfanyl]-N-(2-furylmethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-2-[(2,5-difluorophenyl)methylthio]-N-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-2-[(2,5-difluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-2-[(2,5-difluorobenzyl)thio]-N-(2-furfuryl)-4-keto-quinazoline-7-carboxamide Formula: C27H25F2N3O3S MolecularWeight: 509.567506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC5=C(C=CC(=C5)F)F

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)N=C2SCC5=C(C=CC(=C5)F)F

InChI

InChI=1S/C27H25F2N3O3S/c28-19-9-11-23(29)18(13-19)16-36-27-31-24-14-17(25(33)30-15-21-7-4-12-35-21)8-10-22(24)26(34)32(27)20-5-2-1-3-6-20/h4,7-14,20H,1-3,5-6,15-16H2,(H,30,33)