6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[5-[(2-methylsulfanylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: 6-[5-[[2-(methylthio)ethylamino]methyl]-2-furanyl]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[5-[(2-methylsulfanylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [5-[4-(4-benzoxyanilino)quinazolin-6-yl]-2-furyl]methyl-[2-(methylthio)ethyl]amine Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CSCCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2S/c1-36-16-15-30-18-25-12-14-28(35-25)22-7-13-27-26(17-22)29(32-20-31-27)33-23-8-10-24(11-9-23)34-19-21-5-3-2-4-6-21/h2-14,17,20,30H,15-16,18-19H2,1H3,(H,31,32,33)