N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine

Systemtic Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine Openeye Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine CAS Name: N-[3-[(4-fluorophenyl)thio]-5-nitrophenyl]-2-(3,4,5-trimethoxyphenyl)-4-quinazolinamine IUPAC Name: N-[3-(4-fluorophenyl)sulfanyl-5-nitrophenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine Traditional Name: [3-[(4-fluorophenyl)thio]-5-nitro-phenyl]-[2-(3,4,5-trimethoxyphenyl)quinazolin-4-yl]amine Formula: C29H23FN4O5S MolecularWeight: 558.580123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C29H23FN4O5S/c1-37-25-12-17(13-26(38-2)27(25)39-3)28-32-24-7-5-4-6-23(24)29(33-28)31-19-14-20(34(35)36)16-22(15-19)40-21-10-8-18(30)9-11-21/h4-16H,1-3H3,(H,31,32,33)