3-azabicyclo[2.2.1]heptan-3-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-methyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-methyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-methyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C20H21N5OS MolecularWeight: 379.47864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC5CCC4C5)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC5CCC4C5)C

InChI

InChI=1S/C20H21N5OS/c1-12-9-21-20(23-18(12)17-4-3-7-27-17)25-13(2)16(10-22-25)19(26)24-11-14-5-6-15(24)8-14/h3-4,7,9-10,14-15H,5-6,8,11H2,1-2H3