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

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine CAS Name: 2-[(4-nitrophenyl)methylthio]-N-(3,4,5-trimethoxyphenyl)-4-quinazolinamine IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine Traditional Name: [2-[(4-nitrobenzyl)thio]quinazolin-4-yl]-(3,4,5-trimethoxyphenyl)amine Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC(=NC3=CC=CC=C32)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O5S/c1-31-20-12-16(13-21(32-2)22(20)33-3)25-23-18-6-4-5-7-19(18)26-24(27-23)34-14-15-8-10-17(11-9-15)28(29)30/h4-13H,14H2,1-3H3,(H,25,26,27)