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

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-(4-methylsulfonylmorpholin-2-yl)ethynyl]quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-(4-methylsulfonylmorpholin-2-yl)ethynyl]quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-(4-methylsulfonyl-2-morpholinyl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-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-methyl-4-phenoxy-phenyl)amine Formula: C28H26N4O4S MolecularWeight: 514.59544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CN(CCO4)S(=O)(=O)C)OC5=CC=CC=C5

Isomeric SMILES

CC1=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/C28H26N4O4S/c1-20-16-22(10-13-27(20)36-23-6-4-3-5-7-23)31-28-25-17-21(9-12-26(25)29-19-30-28)8-11-24-18-32(14-15-35-24)37(2,33)34/h3-7,9-10,12-13,16-17,19,24H,14-15,18H2,1-2H3,(H,29,30,31)