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

Systemtic Name: N-(3-chloranyl-4-phenylmethoxy-phenyl)-6-[5-[3-(2-methylsulfonylethylamino)propyl]furan-2-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-chloro-phenyl)-6-[5-[3-(2-methylsulfonylethylamino)propyl]-2-furyl]quinazolin-4-amine CAS Name: N-(3-chloro-4-phenylmethoxyphenyl)-6-[5-[3-(2-methylsulfonylethylamino)propyl]-2-furanyl]-4-quinazolinamine IUPAC Name: N-(3-chloro-4-phenylmethoxyphenyl)-6-[5-[3-(2-methylsulfonylethylamino)propyl]furan-2-yl]quinazolin-4-amine Traditional Name: 3-[5-[4-(4-benzoxy-3-chloro-anilino)quinazolin-6-yl]-2-furyl]propyl-(2-mesylethyl)amine Formula: C31H31ClN4O4S MolecularWeight: 591.12024

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCNCCCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CS(=O)(=O)CCNCCCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C31H31ClN4O4S/c1-41(37,38)17-16-33-15-5-8-25-11-14-29(40-25)23-9-12-28-26(18-23)31(35-21-34-28)36-24-10-13-30(27(32)19-24)39-20-22-6-3-2-4-7-22/h2-4,6-7,9-14,18-19,21,33H,5,8,15-17,20H2,1H3,(H,34,35,36)