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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O2/c1-18-15-20(11-13-24(18)33-21-7-5-4-6-8-21)31-26-22-16-19(9-12-23(22)29-17-30-26)10-14-25(32)27(2,3)28/h4-9,11-13,15-17,25,32H,28H2,1-3H3,(H,29,30,31)