2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(butylamino)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(butylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-(butylamino)-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(butylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-2-[[4-(butylamino)quinazolin-2-yl]thio]acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-2-3-13-22-20-17-11-7-8-12-18(17)24-21(25-20)27-15-19(26)23-14-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3,(H,23,26)(H,22,24,25)