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

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]quinazolin-4-amine Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)sulfanyl-5-nitro-phenyl]quinazolin-4-amine CAS Name: 2-(3,4-dimethoxyphenyl)-N-[3-[(4-fluorophenyl)thio]-5-nitrophenyl]-4-quinazolinamine IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[3-(4-fluorophenyl)sulfanyl-5-nitrophenyl]quinazolin-4-amine Traditional Name: [2-(3,4-dimethoxyphenyl)quinazolin-4-yl]-[3-[(4-fluorophenyl)thio]-5-nitro-phenyl]amine Formula: C28H21FN4O4S MolecularWeight: 528.554143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC(=CC(=C4)SC5=CC=C(C=C5)F)[N+](=O)[O-])OC

InChI

InChI=1S/C28H21FN4O4S/c1-36-25-12-7-17(13-26(25)37-2)27-31-24-6-4-3-5-23(24)28(32-27)30-19-14-20(33(34)35)16-22(15-19)38-21-10-8-18(29)9-11-21/h3-16H,1-2H3,(H,30,31,32)