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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4OS/c1-3-4-14-26(2)20(27)16-28-22-24-19-13-9-8-12-18(19)21(25-22)23-15-17-10-6-5-7-11-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,24,25)