N-(2-methylpropyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methylpropyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-isobutyl-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-methylpropyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methylpropyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-isobutyl-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CN=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-14(2)11-23-19(26)15(3)28-21-24-18-9-5-4-8-17(18)20(27)25(21)13-16-7-6-10-22-12-16/h4-10,12,14-15H,11,13H2,1-3H3,(H,23,26)