3-[2,2-dideuterio-2-[4-(4-fluoranylphenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[2,2-dideuterio-2-[4-(4-fluoranylphenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2,2-dideuterio-2-[4-(4-fluoranylbenzoyl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2,2-dideuterio-2-[4-[(4-fluoranylphenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2,2-dideuterio-2-[4-(4-fluoranylbenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2,2-dideuterio-2-[4-(4-fluoranylbenzoyl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H22FN3O2S MolecularWeight: 412.507241

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

[2H]C([2H])(CN1C(=O)C2=CC=CC=C2NC1=S)N3CCC(CC3)C(=O)C4=CC=C(C=C4)[18F]

InChI

InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)/i13D2,23-1