N-[2-methyl-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide

Systemtic Name: N-[2-methyl-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Openeye Name: N-[1,1-dimethyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide CAS Name: N-[2-methyl-4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]methanesulfonamide IUPAC Name: N-[2-methyl-4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]methanesulfonamide Traditional Name: N-[1,1-dimethyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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#CC(C)(C)NS(=O)(=O)C)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)(C)NS(=O)(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-19-16-21(11-13-25(19)34-22-8-6-5-7-9-22)30-26-23-17-20(10-12-24(23)28-18-29-26)14-15-27(2,3)31-35(4,32)33/h5-13,16-18,31H,1-4H3,(H,28,29,30)