N-butyl-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-butyl-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-butyl-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-butyl-2-[(4-chlorophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-butyl-2-[(4-chlorophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: butyl-[2-[(4-chlorobenzyl)thio]quinazolin-4-yl]amine Formula: C19H20ClN3S MolecularWeight: 357.9002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H20ClN3S/c1-2-3-12-21-18-16-6-4-5-7-17(16)22-19(23-18)24-13-14-8-10-15(20)11-9-14/h4-11H,2-3,12-13H2,1H3,(H,21,22,23)