N-(3-methylbutyl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutyl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-isopentyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]acetamide IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-N-(3-methylbutyl)acetamide Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-N-isoamyl-acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-16(2)12-13-23-20(27)15-28-22-25-19-11-7-6-10-18(19)21(26-22)24-14-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,27)(H,24,25,26)