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

Systemtic Name: 7-[[5-chloranyl-2-[[2-methoxy-4-(2-piperidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Openeye Name: 7-[[5-chloro-2-[2-methoxy-4-[2-(1-piperidyl)ethoxy]anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one CAS Name: 7-[[5-chloro-2-[2-methoxy-4-[2-(1-piperidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]-2-methyl-3H-isoindol-1-one IUPAC Name: 7-[[5-chloro-2-[2-methoxy-4-(2-piperidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Traditional Name: 7-[[5-chloro-2-[2-methoxy-4-(2-piperidinoethoxy)anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one Formula: C27H31ClN6O3 MolecularWeight: 523.02644

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C1=O)C(=CC=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)OCCN5CCCCC5)OC

Isomeric SMILES

CN1CC2=C(C1=O)C(=CC=C2)NC3=NC(=NC=C3Cl)NC4=C(C=C(C=C4)OCCN5CCCCC5)OC

InChI

InChI=1S/C27H31ClN6O3/c1-33-17-18-7-6-8-22(24(18)26(33)35)30-25-20(28)16-29-27(32-25)31-21-10-9-19(15-23(21)36-2)37-14-13-34-11-4-3-5-12-34/h6-10,15-16H,3-5,11-14,17H2,1-2H3,(H2,29,30,31,32)