2-(hydroxymethyl)-4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol

Systemtic Name: 2-(hydroxymethyl)-4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol Openeye Name: 2-(hydroxymethyl)-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol CAS Name: 2-(hydroxymethyl)-4-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-oxanol IUPAC Name: 2-(hydroxymethyl)-4-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-4-ol Traditional Name: 2-methylol-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOC(C4)CO)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCOC(C4)CO)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4/c1-20-15-22(8-10-27(20)36-23-5-3-2-4-6-23)32-28-25-16-21(7-9-26(25)30-19-31-28)11-12-29(34)13-14-35-24(17-29)18-33/h2-10,15-16,19,24,33-34H,13-14,17-18H2,1H3,(H,30,31,32)