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

Systemtic Name: N-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-butyl-2-[(4-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-butyl-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: butyl-[2-[(4-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=NC(=NC2=CC=CC=C21)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O2S/c1-2-3-12-20-18-16-6-4-5-7-17(16)21-19(22-18)26-13-14-8-10-15(11-9-14)23(24)25/h4-11H,2-3,12-13H2,1H3,(H,20,21,22)