4-[[4-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(2,5-dimethylphenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(2,5-dimethylbenzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C22H26N3OS+ MolecularWeight: 380.52634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3OS/c1-16-7-8-17(2)18(13-16)15-27-22-19-5-3-4-6-20(19)23-21(24-22)14-25-9-11-26-12-10-25/h3-8,13H,9-12,14-15H2,1-2H3/p+1