4-[[4-[(2-methylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-[(2-methylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(o-tolylmethylsulfanyl)quinazolin-2-yl]methyl]morpholin-4-ium CAS Name: 4-[[4-[(2-methylphenyl)methylthio]-2-quinazolinyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-[(2-methylphenyl)methylsulfanyl]quinazolin-2-yl]methyl]morpholin-4-ium Traditional Name: 4-[[4-[(2-methylbenzyl)thio]quinazolin-2-yl]methyl]morpholin-4-ium Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3OS/c1-16-6-2-3-7-17(16)15-26-21-18-8-4-5-9-19(18)22-20(23-21)14-24-10-12-25-13-11-24/h2-9H,10-15H2,1H3/p+1