5-azanyl-4-methyl-1-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]pent-1-yn-3-ol

Systemtic Name: 5-azanyl-4-methyl-1-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]pent-1-yn-3-ol Openeye Name: 5-amino-4-methyl-1-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]pent-1-yn-3-ol CAS Name: 5-amino-4-methyl-1-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]-1-pentyn-3-ol IUPAC Name: 5-amino-4-methyl-1-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]pent-1-yn-3-ol Traditional Name: 5-amino-4-methyl-1-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]pent-1-yn-3-ol Formula: C27H26N4O2 MolecularWeight: 438.52094

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#CC(C(C)CN)O)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2/c1-18-14-21(10-13-26(18)33-22-6-4-3-5-7-22)31-27-23-15-20(8-11-24(23)29-17-30-27)9-12-25(32)19(2)16-28/h3-8,10-11,13-15,17,19,25,32H,16,28H2,1-2H3,(H,29,30,31)