N-(3-methyl-4-phenoxy-phenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-amine

Systemtic Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-amine Openeye Name: N-(3-methyl-4-phenoxy-phenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-amine CAS Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methyl-4-phenoxyphenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-amine Traditional Name: [6-[2-(1-mesyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-yl]-(3-methyl-4-phenoxy-phenyl)amine Formula: C29H26N4O3S MolecularWeight: 510.60674

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#CC4=CN(CCC4)S(=O)(=O)C)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4=CN(CCC4)S(=O)(=O)C)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3S/c1-21-17-24(13-15-28(21)36-25-8-4-3-5-9-25)32-29-26-18-22(12-14-27(26)30-20-31-29)10-11-23-7-6-16-33(19-23)37(2,34)35/h3-5,8-9,12-15,17-20H,6-7,16H2,1-2H3,(H,30,31,32)