N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[[2-(3-fluoranylphenoxy)pyridin-3-yl]methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[[2-(3-fluorophenoxy)pyridin-3-yl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[[2-(3-fluorophenoxy)-3-pyridyl]methyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H15FN4O3S MolecularWeight: 422.432203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)OC2=C(C=CC=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1=CC(=CC(=C1)F)OC2=C(C=CC=N2)CNC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H15FN4O3S/c22-14-4-1-5-15(10-14)29-20-13(3-2-8-23-20)11-24-18(27)12-6-7-16-17(9-12)25-21(30)26-19(16)28/h1-10H,11H2,(H,24,27)(H2,25,26,28,30)