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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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