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

Systemtic Name: 6-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-(1-methylpiperidin-4-yl)-5-propan-2-yloxy-3H-isoindol-1-one Openeye Name: 6-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-5-isopropoxy-2-(1-methyl-4-piperidyl)isoindolin-1-one CAS Name: 6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-2-(1-methyl-4-piperidinyl)-5-propan-2-yloxy-3H-isoindol-1-one IUPAC Name: 6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-(1-methylpiperidin-4-yl)-5-propan-2-yloxy-3H-isoindol-1-one Traditional Name: 6-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-5-isopropoxy-2-(1-methyl-4-piperidyl)isoindolin-1-one Formula: C30H37ClN6O4S MolecularWeight: 613.17058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C2C(=C1)CN(C2=O)C3CCN(CC3)C)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)Cl

Isomeric SMILES

CC(C)OC1=C(C=C2C(=C1)CN(C2=O)C3CCN(CC3)C)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)Cl

InChI

InChI=1S/C30H37ClN6O4S/c1-18(2)41-26-14-20-17-37(21-10-12-36(5)13-11-21)29(38)22(20)15-25(26)34-30-32-16-23(31)28(35-30)33-24-8-6-7-9-27(24)42(39,40)19(3)4/h6-9,14-16,18-19,21H,10-13,17H2,1-5H3,(H2,32,33,34,35)