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

Systemtic Name: N-(3-methoxy-4-phenoxy-phenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-amine Openeye Name: N-(3-methoxy-4-phenoxy-phenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]quinazolin-4-amine CAS Name: N-(3-methoxy-4-phenoxyphenyl)-6-[2-(1-methylsulfonyl-3,4-dihydro-2H-pyridin-5-yl)ethynyl]-4-quinazolinamine IUPAC Name: N-(3-methoxy-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-methoxy-4-phenoxy-phenyl)amine Formula: C29H26N4O4S MolecularWeight: 526.60614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C29H26N4O4S/c1-36-28-18-23(13-15-27(28)37-24-8-4-3-5-9-24)32-29-25-17-21(12-14-26(25)30-20-31-29)10-11-22-7-6-16-33(19-22)38(2,34)35/h3-5,8-9,12-15,17-20H,6-7,16H2,1-2H3,(H,30,31,32)