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

Systemtic Name: 7-[[5-chloranyl-2-[[2-methoxy-4-(1-methylpiperidin-4-yl)oxy-phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Openeye Name: 7-[[5-chloro-2-[2-methoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one CAS Name: 7-[[5-chloro-2-[2-methoxy-4-[(1-methyl-4-piperidinyl)oxy]anilino]-4-pyrimidinyl]amino]-2-methyl-3H-isoindol-1-one IUPAC Name: 7-[[5-chloro-2-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Traditional Name: 7-[[5-chloro-2-[2-methoxy-4-[(1-methyl-4-piperidyl)oxy]anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl)OC

Isomeric SMILES

CN1CCC(CC1)OC2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl)OC

InChI

InChI=1S/C26H29ClN6O3/c1-32-11-9-17(10-12-32)36-18-7-8-20(22(13-18)35-3)30-26-28-14-19(27)24(31-26)29-21-6-4-5-16-15-33(2)25(34)23(16)21/h4-8,13-14,17H,9-12,15H2,1-3H3,(H2,28,29,30,31)