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

Systemtic Name: N-[4-[4-(3-butan-2-yl-3-oxidanyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Openeye Name: N-[4-[4-(3-hydroxy-3-sec-butyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide CAS Name: N-[4-[[4-(3-butan-2-yl-3-hydroxy-1-azetidinyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrimidinyl]thio]phenyl]propanamide IUPAC Name: N-[4-[4-(3-butan-2-yl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide Traditional Name: N-[4-[[4-(3-hydroxy-3-sec-butyl-azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]thio]phenyl]propionamide Formula: C24H31N7O2S MolecularWeight: 481.61364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(CN(C1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)CC)NC4=NNC(=C4)C)O

Isomeric SMILES

CCC(C)C1(CN(C1)C2=CC(=NC(=N2)SC3=CC=C(C=C3)NC(=O)CC)NC4=NNC(=C4)C)O

InChI

InChI=1S/C24H31N7O2S/c1-5-15(3)24(33)13-31(14-24)21-12-19(26-20-11-16(4)29-30-20)27-23(28-21)34-18-9-7-17(8-10-18)25-22(32)6-2/h7-12,15,33H,5-6,13-14H2,1-4H3,(H,25,32)(H2,26,27,28,29,30)