1-[3-(4-fluorophenyl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-(4-fluorophenyl)-4-oxidanylidene-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-(4-fluorophenyl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-(4-fluorophenyl)-4-oxo-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-(4-fluorophenyl)-4-oxo-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-(4-fluorophenyl)-4-keto-2-[(2-keto-2-pyrrolidino-ethyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C27H28FN5O4S MolecularWeight: 537.605723

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=C(C=C5)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5=CC=C(C=C5)F

InChI

InChI=1S/C27H28FN5O4S/c28-19-4-6-20(7-5-19)33-26(37)21-8-3-18(25(36)32-13-9-17(10-14-32)24(29)35)15-22(21)30-27(33)38-16-23(34)31-11-1-2-12-31/h3-8,15,17H,1-2,9-14,16H2,(H2,29,35)