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

Systemtic Name: N-butyl-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-N-butyl-acetamide Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3

InChI

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