5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-piperidin-4-yl-6-propan-2-yloxy-3H-isoindol-1-one

Systemtic Name: 5-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-piperidin-4-yl-6-propan-2-yloxy-3H-isoindol-1-one Openeye Name: 5-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-6-isopropoxy-2-(4-piperidyl)isoindolin-1-one CAS Name: 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-2-(4-piperidinyl)-6-propan-2-yloxy-3H-isoindol-1-one IUPAC Name: 5-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-piperidin-4-yl-6-propan-2-yloxy-3H-isoindol-1-one Traditional Name: 5-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-6-isopropoxy-2-(4-piperidyl)isoindolin-1-one Formula: C29H35ClN6O4S MolecularWeight: 599.144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2CN(C(=O)C2=C1)C3CCNCC3)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)Cl

Isomeric SMILES

CC(C)OC1=C(C=C2CN(C(=O)C2=C1)C3CCNCC3)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)Cl

InChI

InChI=1S/C29H35ClN6O4S/c1-17(2)40-25-14-21-19(16-36(28(21)37)20-9-11-31-12-10-20)13-24(25)34-29-32-15-22(30)27(35-29)33-23-7-5-6-8-26(23)41(38,39)18(3)4/h5-8,13-15,17-18,20,31H,9-12,16H2,1-4H3,(H2,32,33,34,35)