4-oxidanylidene-2-sulfanylidene-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-sulfanylidene-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-2-thioxo-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-2-sulfanylidene-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-2-sulfanylidene-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-2-thioxo-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]-1H-quinazoline-7-carboxamide Formula: C20H18F3N5O2S MolecularWeight: 449.44943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5O2S/c21-20(22,23)12-2-4-16(24-10-12)28-7-5-13(6-8-28)25-17(29)11-1-3-14-15(9-11)26-19(31)27-18(14)30/h1-4,9-10,13H,5-8H2,(H,25,29)(H2,26,27,30,31)