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

Systemtic Name: 6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[4-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: 6-[4-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[4-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [5-[4-(4-benzoxyanilino)quinazolin-6-yl]-3-furyl]methyl-(2-mesylethyl)amine Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O4S/c1-38(34,35)14-13-30-17-22-15-28(37-19-22)23-7-12-27-26(16-23)29(32-20-31-27)33-24-8-10-25(11-9-24)36-18-21-5-3-2-4-6-21/h2-12,15-16,19-20,30H,13-14,17-18H2,1H3,(H,31,32,33)