1-(methylamino)-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-ol

Systemtic Name: 1-(methylamino)-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-ol Openeye Name: 1-(methylamino)-4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]but-3-yn-2-ol CAS Name: 1-(methylamino)-4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-3-butyn-2-ol IUPAC Name: 1-(methylamino)-4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-ol Traditional Name: 1-(methylamino)-4-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]but-3-yn-2-ol Formula: C26H24N4O2 MolecularWeight: 424.49436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O2/c1-18-14-20(10-13-25(18)32-22-6-4-3-5-7-22)30-26-23-15-19(8-11-21(31)16-27-2)9-12-24(23)28-17-29-26/h3-7,9-10,12-15,17,21,27,31H,16H2,1-2H3,(H,28,29,30)