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

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

Click to see the large picture

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)C5=CSC(=N5)CNCCS(=O)(=O)C

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N=C2N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)I)C5=CSC(=N5)CNCCS(=O)(=O)C

InChI

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