N-(3-iodanyl-4-phenylmethoxy-phenyl)-7-methoxy-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine

Systemtic Name: N-(3-iodanyl-4-phenylmethoxy-phenyl)-7-methoxy-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Openeye Name: N-(4-benzyloxy-3-iodo-phenyl)-7-methoxy-6-[2-[(2-methylsulfonylethylamino)methyl]thiazol-4-yl]quinazolin-4-amine CAS Name: N-(3-iodo-4-phenylmethoxyphenyl)-7-methoxy-6-[2-[(2-methylsulfonylethylamino)methyl]-4-thiazolyl]-4-quinazolinamine IUPAC Name: N-(3-iodo-4-phenylmethoxyphenyl)-7-methoxy-6-[2-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-4-yl]quinazolin-4-amine Traditional Name: [4-[4-(4-benzoxy-3-iodo-anilino)-7-methoxy-quinazolin-6-yl]thiazol-2-yl]methyl-(2-mesylethyl)amine Formula: C29H28IN5O4S2 MolecularWeight: 701.59819

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)I)C5=CSC(=N5)CNCCS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC=CC=C4)I)C5=CSC(=N5)CNCCS(=O)(=O)C

InChI

InChI=1S/C29H28IN5O4S2/c1-38-27-14-24-22(13-21(27)25-17-40-28(35-25)15-31-10-11-41(2,36)37)29(33-18-32-24)34-20-8-9-26(23(30)12-20)39-16-19-6-4-3-5-7-19/h3-9,12-14,17-18,31H,10-11,15-16H2,1-2H3,(H,32,33,34)