4-[1-(2-azanyl-5-chloranyl-pyrimidin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol

Systemtic Name: 4-[1-(2-azanyl-5-chloranyl-pyrimidin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol Openeye Name: 4-[1-(2-amino-5-chloro-pyrimidin-4-yl)-3,3-dimethyl-indolin-6-yl]-2-(5-methylisoxazol-3-yl)but-3-yn-2-ol CAS Name: 4-[1-(2-amino-5-chloro-4-pyrimidinyl)-3,3-dimethyl-2H-indol-6-yl]-2-(5-methyl-3-isoxazolyl)-3-butyn-2-ol IUPAC Name: 4-[1-(2-amino-5-chloropyrimidin-4-yl)-3,3-dimethyl-2H-indol-6-yl]-2-(5-methyl-1,2-oxazol-3-yl)but-3-yn-2-ol Traditional Name: 4-[1-(2-amino-5-chloro-pyrimidin-4-yl)-3,3-dimethyl-indolin-6-yl]-2-(5-methylisoxazol-3-yl)but-3-yn-2-ol Formula: C22H22ClN5O2 MolecularWeight: 423.89538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(C)(C#CC2=CC3=C(C=C2)C(CN3C4=NC(=NC=C4Cl)N)(C)C)O

Isomeric SMILES

CC1=CC(=NO1)C(C)(C#CC2=CC3=C(C=C2)C(CN3C4=NC(=NC=C4Cl)N)(C)C)O

InChI

InChI=1S/C22H22ClN5O2/c1-13-9-18(27-30-13)22(4,29)8-7-14-5-6-15-17(10-14)28(12-21(15,2)3)19-16(23)11-25-20(24)26-19/h5-6,9-11,29H,12H2,1-4H3,(H2,24,25,26)