7-[[5-chloranyl-2-[[2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one

Systemtic Name: 7-[[5-chloranyl-2-[[2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Openeye Name: 7-[[5-chloro-2-[5-[(1-isopropyl-4-piperidyl)oxy]-2-methoxy-anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one CAS Name: 7-[[5-chloro-2-[2-methoxy-5-[(1-propan-2-yl-4-piperidinyl)oxy]anilino]-4-pyrimidinyl]amino]-2-methyl-3H-isoindol-1-one IUPAC Name: 7-[[5-chloro-2-[2-methoxy-5-(1-propan-2-ylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Traditional Name: 7-[[5-chloro-2-[5-[(1-isopropyl-4-piperidyl)oxy]-2-methoxy-anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one Formula: C28H33ClN6O3 MolecularWeight: 537.05302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)OC2=CC(=C(C=C2)OC)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl

Isomeric SMILES

CC(C)N1CCC(CC1)OC2=CC(=C(C=C2)OC)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl

InChI

InChI=1S/C28H33ClN6O3/c1-17(2)35-12-10-19(11-13-35)38-20-8-9-24(37-4)23(14-20)32-28-30-15-21(29)26(33-28)31-22-7-5-6-18-16-34(3)27(36)25(18)22/h5-9,14-15,17,19H,10-13,16H2,1-4H3,(H2,30,31,32,33)