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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3

InChI

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