3-methyl-2-sulfanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one

Systemtic Name: 3-methyl-2-sulfanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one Openeye Name: 3-methyl-2-thioxo-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-1H-quinazolin-4-one CAS Name: 3-methyl-7-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-methyl-2-sulfanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]-1H-quinazolin-4-one Traditional Name: 3-methyl-2-thioxo-7-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]-1H-quinazolin-4-one Formula: C20H18F3N5O2S MolecularWeight: 449.44943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F)NC1=S

InChI

InChI=1S/C20H18F3N5O2S/c1-26-18(30)14-4-2-12(10-15(14)25-19(26)31)17(29)28-8-6-27(7-9-28)16-5-3-13(11-24-16)20(21,22)23/h2-5,10-11H,6-9H2,1H3,(H,25,31)