6-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine

Systemtic Name: 6-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]quinazolin-4-amine CAS Name: 6-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]-N-(4-phenylmethoxyphenyl)-4-quinazolinamine IUPAC Name: 6-[3-[methyl(2-methylsulfonylethyl)amino]propoxy]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine Traditional Name: 3-[4-(4-benzoxyanilino)quinazolin-6-yl]oxypropyl-(2-mesylethyl)-methyl-amine Formula: C28H32N4O4S MolecularWeight: 520.64308

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4)CCS(=O)(=O)C

Isomeric SMILES

CN(CCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4)CCS(=O)(=O)C

InChI

InChI=1S/C28H32N4O4S/c1-32(16-18-37(2,33)34)15-6-17-35-25-13-14-27-26(19-25)28(30-21-29-27)31-23-9-11-24(12-10-23)36-20-22-7-4-3-5-8-22/h3-5,7-14,19,21H,6,15-18,20H2,1-2H3,(H,29,30,31)