N-(3-chloranyl-4-phenylmethoxy-phenyl)-7-fluoranyl-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine

Systemtic Name: N-(3-chloranyl-4-phenylmethoxy-phenyl)-7-fluoranyl-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-chloro-phenyl)-7-fluoro-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine CAS Name: N-(3-chloro-4-phenylmethoxyphenyl)-7-fluoro-6-[5-[(2-methylsulfonylethylamino)methyl]-2-furanyl]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenylmethoxyphenyl)-7-fluoro-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine Traditional Name: [5-[4-(4-benzoxy-3-chloro-anilino)-7-fluoro-quinazolin-6-yl]-2-furyl]methyl-(2-mesylethyl)amine Formula: C29H26ClFN4O4S MolecularWeight: 581.057543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCC1=CC=C(O1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl)F

Isomeric SMILES

CS(=O)(=O)CCNCC1=CC=C(O1)C2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl)F

InChI

InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-21-8-10-27(39-21)22-14-23-26(15-25(22)31)33-18-34-29(23)35-20-7-9-28(24(30)13-20)38-17-19-5-3-2-4-6-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)