N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: homoveratryl-[2-[(3-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C25H24N4O4S MolecularWeight: 476.54746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H24N4O4S/c1-32-22-11-10-17(15-23(22)33-2)12-13-26-24-20-8-3-4-9-21(20)27-25(28-24)34-16-18-6-5-7-19(14-18)29(30)31/h3-11,14-15H,12-13,16H2,1-2H3,(H,26,27,28)