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

Systemtic Name: N-(2-methoxyethylcarbamoyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxyethylcarbamoyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(2-methoxyethylamino)-oxomethyl]-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxyethylcarbamoyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]-N-(2-methoxyethylcarbamoyl)acetamide Formula: C20H21N5O4S MolecularWeight: 427.47684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4S/c1-29-10-9-22-19(28)24-17(26)13-30-20-23-16-7-3-2-6-15(16)18(27)25(20)12-14-5-4-8-21-11-14/h2-8,11H,9-10,12-13H2,1H3,(H2,22,24,26,28)