2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide

Systemtic Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(3-fluorophenyl)methylsulfanyl]-N-isopropyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[(3-fluorophenyl)methylthio]-4-oxo-3-(2-oxolanylmethyl)-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-fluorophenyl)methylsulfanyl]-4-oxo-3-(oxolan-2-ylmethyl)-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(3-fluorobenzyl)thio]-N-isopropyl-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C24H26FN3O3S MolecularWeight: 455.544943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4CCCO4

Isomeric SMILES

CC(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)F)CC4CCCO4

InChI

InChI=1S/C24H26FN3O3S/c1-15(2)26-22(29)17-8-9-20-21(12-17)27-24(32-14-16-5-3-6-18(25)11-16)28(23(20)30)13-19-7-4-10-31-19/h3,5-6,8-9,11-12,15,19H,4,7,10,13-14H2,1-2H3,(H,26,29)