N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylthio]-4-quinazolinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-amine Traditional Name: [2-[(3-nitrobenzyl)thio]quinazolin-4-yl]-p-anisyl-amine Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N4O3S/c1-30-19-11-9-16(10-12-19)14-24-22-20-7-2-3-8-21(20)25-23(26-22)31-15-17-5-4-6-18(13-17)27(28)29/h2-13H,14-15H2,1H3,(H,24,25,26)