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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]propionamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O3S/c1-14(18(28)25-20(30)26-22(2,3)4)31-21-24-17-10-6-5-9-16(17)19(29)27(21)13-15-8-7-11-23-12-15/h5-12,14H,13H2,1-4H3,(H2,25,26,28,30)