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

Systemtic Name: 2-(hydroxymethyl)-3-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]oxan-3-ol Openeye Name: 2-(hydroxymethyl)-3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-3-ol CAS Name: 2-(hydroxymethyl)-3-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-oxanol IUPAC Name: 2-(hydroxymethyl)-3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]oxan-3-ol Traditional Name: 2-methylol-3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]tetrahydropyran-3-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(CCCOC4CO)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCOC4CO)O)OC5=CC=CC=C5

InChI

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