N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[[4-(phenethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(phenethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[[4-(phenethylamino)quinazolin-2-yl]thio]acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2S/c1-15-13-19(27-29-15)25-20(28)14-30-22-24-18-10-6-5-9-17(18)21(26-22)23-12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H,23,24,26)(H,25,27,28)