3-azabicyclo[2.2.1]heptan-3-yl-[5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: 3-azabicyclo[2.2.1]heptan-3-yl-[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC5CCC4C5)C6CC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CC5CCC4C5)C6CC6

InChI

InChI=1S/C22H23N5OS/c1-13-10-23-22(25-19(13)18-3-2-8-29-18)27-20(15-5-6-15)17(11-24-27)21(28)26-12-14-4-7-16(26)9-14/h2-3,8,10-11,14-16H,4-7,9,12H2,1H3