4-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]but-3-yne-1,2-diol

Systemtic Name: 4-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]but-3-yne-1,2-diol Openeye Name: 4-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]but-3-yne-1,2-diol CAS Name: 4-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]-3-butyne-1,2-diol IUPAC Name: 4-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]but-3-yne-1,2-diol Traditional Name: 4-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]but-3-yne-1,2-diol Formula: C24H20N4O3 MolecularWeight: 412.4406

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(CO)O)OC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H20N4O3/c1-16-11-18(6-9-23(16)31-20-3-2-10-25-13-20)28-24-21-12-17(4-7-19(30)14-29)5-8-22(21)26-15-27-24/h2-3,5-6,8-13,15,19,29-30H,14H2,1H3,(H,26,27,28)