3-(4-fluorophenyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(4-fluorophenyl)-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(4-fluorophenyl)-4-oxo-N-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(4-fluorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(4-fluorophenyl)-4-keto-N-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18FN3O3S/c21-13-4-6-14(7-5-13)24-19(26)16-8-3-12(10-17(16)23-20(24)28)18(25)22-11-15-2-1-9-27-15/h3-8,10,15H,1-2,9,11H2,(H,22,25)(H,23,28)