N-tert-butyl-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-tert-butyl-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-tert-butyl-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-tert-butyl-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-tert-butyl-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-20(2,3)23-17(25)13-27-19-22-16-9-5-4-8-15(16)18(26)24(19)12-14-7-6-10-21-11-14/h4-11H,12-13H2,1-3H3,(H,23,25)