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

Systemtic Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(3-methyl-3-oxidanyl-azetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(3-hydroxy-3-methyl-azetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(3-hydroxy-3-methyl-1-azetidinyl)-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(3-hydroxy-3-methylazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(3-hydroxy-3-methyl-azetidin-1-yl)pyrimidin-2-yl]thio]phenyl]propionamide Formula: C23H27N7O2S MolecularWeight: 465.57118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)N5CC(C5)(C)O

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C4CC4)N5CC(C5)(C)O

InChI

InChI=1S/C23H27N7O2S/c1-3-21(31)24-15-6-8-16(9-7-15)33-22-26-18(11-20(27-22)30-12-23(2,32)13-30)25-19-10-17(28-29-19)14-4-5-14/h6-11,14,32H,3-5,12-13H2,1-2H3,(H,24,31)(H2,25,26,27,28,29)