N-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: (3,5-dimethoxyphenyl)-[2-[(4-nitrobenzyl)thio]quinazolin-4-yl]amine Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H20N4O4S/c1-30-18-11-16(12-19(13-18)31-2)24-22-20-5-3-4-6-21(20)25-23(26-22)32-14-15-7-9-17(10-8-15)27(28)29/h3-13H,14H2,1-2H3,(H,24,25,26)