N-[(4-methylphenyl)methyl]-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-amine

Systemtic Name: N-[(4-methylphenyl)methyl]-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-amine Openeye Name: N-(p-tolylmethyl)-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-amine CAS Name: N-[(4-methylphenyl)methyl]-2-(4-thiomorpholin-4-iumylmethyl)-4-quinazolinamine IUPAC Name: N-[(4-methylphenyl)methyl]-2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-amine Traditional Name: (4-methylbenzyl)-[2-(thiomorpholin-4-ium-4-ylmethyl)quinazolin-4-yl]amine Formula: C21H25N4S+ MolecularWeight: 365.515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCSCC4

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCSCC4

InChI

InChI=1S/C21H24N4S/c1-16-6-8-17(9-7-16)14-22-21-18-4-2-3-5-19(18)23-20(24-21)15-25-10-12-26-13-11-25/h2-9H,10-15H2,1H3,(H,22,23,24)/p+1