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

Systemtic Name: N-[4-[4-(3-cyclopentyl-3-oxidanyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(3-cyclopentyl-3-hydroxy-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(3-cyclopentyl-3-hydroxy-1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(3-cyclopentyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(3-cyclopentyl-3-hydroxy-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C25H31N7O2S MolecularWeight: 493.62434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CC(C4)(C5CCCC5)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)N4CC(C4)(C5CCCC5)O

InChI

InChI=1S/C25H31N7O2S/c1-3-23(33)26-18-8-10-19(11-9-18)35-24-28-20(27-21-12-16(2)30-31-21)13-22(29-24)32-14-25(34,15-32)17-6-4-5-7-17/h8-13,17,34H,3-7,14-15H2,1-2H3,(H,26,33)(H2,27,28,29,30,31)