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

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-furylmethyl)-4-oxo-3-pentyl-quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-N-(2-furanylmethyl)-4-oxo-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)-4-oxo-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-2-[(3-fluorobenzyl)thio]-N-(2-furfuryl)-4-keto-quinazoline-7-carboxamide Formula: C26H26FN3O3S MolecularWeight: 479.566343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=CC(=CC=C4)F

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CO3)N=C1SCC4=CC(=CC=C4)F

InChI

InChI=1S/C26H26FN3O3S/c1-2-3-4-12-30-25(32)22-11-10-19(24(31)28-16-21-9-6-13-33-21)15-23(22)29-26(30)34-17-18-7-5-8-20(27)14-18/h5-11,13-15H,2-4,12,16-17H2,1H3,(H,28,31)