2-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one

Systemtic Name: 2-(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Openeye Name: 2-(2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-(3-pyridylmethyl)quinazolin-4-one CAS Name: 2-[[2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl]thio]-3-(3-pyridinylmethyl)-4-quinazolinone IUPAC Name: 2-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanyl-3-(pyridin-3-ylmethyl)quinazolin-4-one Traditional Name: 2-[(2-keto-1-phenyl-2-pyrrolidino-ethyl)thio]-3-(3-pyridylmethyl)quinazolin-4-one Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CN=CC=C5

InChI

InChI=1S/C26H24N4O2S/c31-24-21-12-4-5-13-22(21)28-26(30(24)18-19-9-8-14-27-17-19)33-23(20-10-2-1-3-11-20)25(32)29-15-6-7-16-29/h1-5,8-14,17,23H,6-7,15-16,18H2