6-(furan-2-yl)-2-(3-iodanyl-4-phenylmethoxy-phenyl)-7-methoxy-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine

Systemtic Name: 6-(furan-2-yl)-2-(3-iodanyl-4-phenylmethoxy-phenyl)-7-methoxy-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Openeye Name: 2-(4-benzyloxy-3-iodo-phenyl)-6-(2-furyl)-7-methoxy-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine CAS Name: 6-(2-furanyl)-2-(3-iodo-4-phenylmethoxyphenyl)-7-methoxy-5-[(2-methylsulfonylethylamino)methyl]-4-quinazolinamine IUPAC Name: 6-(furan-2-yl)-2-(3-iodo-4-phenylmethoxyphenyl)-7-methoxy-5-[(2-methylsulfonylethylamino)methyl]quinazolin-4-amine Traditional Name: [4-amino-2-(4-benzoxy-3-iodo-phenyl)-6-(2-furyl)-7-methoxy-quinazolin-5-yl]methyl-(2-mesylethyl)amine Formula: C30H29IN4O5S MolecularWeight: 684.54453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N=C(N=C2N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)I)CNCCS(=O)(=O)C)C5=CC=CO5

Isomeric SMILES

COC1=C(C(=C2C(=C1)N=C(N=C2N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)I)CNCCS(=O)(=O)C)C5=CC=CO5

InChI

InChI=1S/C30H29IN4O5S/c1-38-26-16-23-27(21(17-33-12-14-41(2,36)37)28(26)25-9-6-13-39-25)29(32)35-30(34-23)20-10-11-24(22(31)15-20)40-18-19-7-4-3-5-8-19/h3-11,13,15-16,33H,12,14,17-18H2,1-2H3,(H2,32,34,35)