3-(2-fluorophenyl)-4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-fluorophenyl)-4-oxidanylidene-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-fluorophenyl)-4-keto-N-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

InChI

InChI=1S/C22H21FN4O3S/c23-16-5-1-2-6-18(16)27-21(30)15-9-8-14(13-17(15)25-22(27)31)20(29)24-10-4-12-26-11-3-7-19(26)28/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,24,29)(H,25,31)