3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-N-(2-furylmethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-cyclohexyl-2-[(3-fluorophenyl)methylthio]-N-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-cyclohexyl-2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 3-cyclohexyl-2-[(3-fluorobenzyl)thio]-N-(2-furfuryl)-4-keto-quinazoline-7-carboxamide Formula: C27H26FN3O3S MolecularWeight: 491.577043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26FN3O3S/c28-20-7-4-6-18(14-20)17-35-27-30-24-15-19(25(32)29-16-22-10-5-13-34-22)11-12-23(24)26(33)31(27)21-8-2-1-3-9-21/h4-7,10-15,21H,1-3,8-9,16-17H2,(H,29,32)