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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: [2-[(4-fluorobenzyl)thio]quinazolin-4-yl]-homoveratryl-amine Formula: C25H24FN3O2S MolecularWeight: 449.540363

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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)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H24FN3O2S/c1-30-22-12-9-17(15-23(22)31-2)13-14-27-24-20-5-3-4-6-21(20)28-25(29-24)32-16-18-7-10-19(26)11-8-18/h3-12,15H,13-14,16H2,1-2H3,(H,27,28,29)