N-(3-methoxy-4-phenoxy-phenyl)-6-[2-(4-methylsulfonylmorpholin-2-yl)ethynyl]quinazolin-4-amine

Systemtic Name: N-(3-methoxy-4-phenoxy-phenyl)-6-[2-(4-methylsulfonylmorpholin-2-yl)ethynyl]quinazolin-4-amine Openeye Name: N-(3-methoxy-4-phenoxy-phenyl)-6-[2-(4-methylsulfonylmorpholin-2-yl)ethynyl]quinazolin-4-amine CAS Name: N-(3-methoxy-4-phenoxyphenyl)-6-[2-(4-methylsulfonyl-2-morpholinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methoxy-4-phenoxyphenyl)-6-[2-(4-methylsulfonylmorpholin-2-yl)ethynyl]quinazolin-4-amine Traditional Name: [6-[2-(4-mesylmorpholin-2-yl)ethynyl]quinazolin-4-yl]-(3-methoxy-4-phenoxy-phenyl)amine Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CN(CCO4)S(=O)(=O)C)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CN(CCO4)S(=O)(=O)C)OC5=CC=CC=C5

InChI

InChI=1S/C28H26N4O5S/c1-35-27-17-21(10-13-26(27)37-22-6-4-3-5-7-22)31-28-24-16-20(9-12-25(24)29-19-30-28)8-11-23-18-32(14-15-36-23)38(2,33)34/h3-7,9-10,12-13,16-17,19,23H,14-15,18H2,1-2H3,(H,29,30,31)