7-[[5-chloranyl-2-[(2,4-dimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one

Systemtic Name: 7-[[5-chloranyl-2-[(2,4-dimethoxyphenyl)amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Openeye Name: 7-[[5-chloro-2-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one CAS Name: 7-[[5-chloro-2-(2,4-dimethoxyanilino)-4-pyrimidinyl]amino]-2-methyl-3H-isoindol-1-one IUPAC Name: 7-[[5-chloro-2-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Traditional Name: 7-[[5-chloro-2-(2,4-dimethoxyanilino)pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN5O3/c1-27-11-12-5-4-6-16(18(12)20(27)28)24-19-14(22)10-23-21(26-19)25-15-8-7-13(29-2)9-17(15)30-3/h4-10H,11H2,1-3H3,(H2,23,24,25,26)