2-methylsulfanyl-N-octyl-quinazolin-4-amine

Systemtic Name: 2-methylsulfanyl-N-octyl-quinazolin-4-amine Openeye Name: 2-methylsulfanyl-N-octyl-quinazolin-4-amine CAS Name: 2-(methylthio)-N-octyl-4-quinazolinamine IUPAC Name: 2-methylsulfanyl-N-octylquinazolin-4-amine Traditional Name: [2-(methylthio)quinazolin-4-yl]-octyl-amine Formula: C17H25N3S MolecularWeight: 303.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=NC(=NC2=CC=CC=C21)SC

Isomeric SMILES

CCCCCCCCNC1=NC(=NC2=CC=CC=C21)SC

InChI

InChI=1S/C17H25N3S/c1-3-4-5-6-7-10-13-18-16-14-11-8-9-12-15(14)19-17(20-16)21-2/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,18,19,20)