N-[4-[4-(3-cyclopropyl-3-oxidanyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopentanecarboxamide

Systemtic Name: N-[4-[4-(3-cyclopropyl-3-oxidanyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopentanecarboxamide Openeye Name: N-[4-[4-(3-cyclopropyl-3-hydroxy-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopentanecarboxamide CAS Name: N-[4-[[4-(3-cyclopropyl-3-hydroxy-1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]cyclopentanecarboxamide IUPAC Name: N-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopentanecarboxamide Traditional Name: N-[4-[[4-(3-cyclopropyl-3-hydroxy-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]cyclopentanecarboxamide Formula: C26H31N7O2S MolecularWeight: 505.63504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CC(C3)(C4CC4)O)SC5=CC=C(C=C5)NC(=O)C6CCCC6

Isomeric SMILES

CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CC(C3)(C4CC4)O)SC5=CC=C(C=C5)NC(=O)C6CCCC6

InChI

InChI=1S/C26H31N7O2S/c1-16-12-22(32-31-16)28-21-13-23(33-14-26(35,15-33)18-6-7-18)30-25(29-21)36-20-10-8-19(9-11-20)27-24(34)17-4-2-3-5-17/h8-13,17-18,35H,2-7,14-15H2,1H3,(H,27,34)(H2,28,29,30,31,32)