7-fluoranyl-6-(furan-2-yl)-5-[(2-methylsulfonylethylamino)methyl]-2-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 7-fluoranyl-6-(furan-2-yl)-5-[(2-methylsulfonylethylamino)methyl]-2-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: 2-(4-benzyloxyphenyl)-7-fluoro-6-(2-furyl)-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine CAS Name: 7-fluoro-6-(2-furanyl)-5-[(2-methylsulfonylethylamino)methyl]-2-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 7-fluoro-6-(furan-2-yl)-5-[(2-methylsulfonylethylamino)methyl]-2-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: [4-amino-2-(4-benzoxyphenyl)-7-fluoro-6-(2-furyl)quinazolin-5-yl]methyl-(2-mesylethyl)amine Formula: C29H27FN4O4S MolecularWeight: 546.612483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=C2C(=CC(=C1C3=CC=CO3)F)N=C(N=C2N)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)CCNCC1=C2C(=CC(=C1C3=CC=CO3)F)N=C(N=C2N)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H27FN4O4S/c1-39(35,36)15-13-32-17-22-26(25-8-5-14-37-25)23(30)16-24-27(22)28(31)34-29(33-24)20-9-11-21(12-10-20)38-18-19-6-3-2-4-7-19/h2-12,14,16,32H,13,15,17-18H2,1H3,(H2,31,33,34)