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

Systemtic Name: 7-[[5-chloranyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Openeye Name: 7-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one CAS Name: 7-[[5-chloro-2-[2-methoxy-4-(4-methyl-1-piperazinyl)anilino]-4-pyrimidinyl]amino]-2-methyl-3H-isoindol-1-one IUPAC Name: 7-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-2-methyl-3H-isoindol-1-one Traditional Name: 7-[[5-chloro-2-[2-methoxy-4-(4-methylpiperazino)anilino]pyrimidin-4-yl]amino]-2-methyl-isoindolin-1-one Formula: C25H28ClN7O2 MolecularWeight: 493.98852

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC5=C4C(=O)N(C5)C)Cl)OC

InChI

InChI=1S/C25H28ClN7O2/c1-31-9-11-33(12-10-31)17-7-8-19(21(13-17)35-3)29-25-27-14-18(26)23(30-25)28-20-6-4-5-16-15-32(2)24(34)22(16)20/h4-8,13-14H,9-12,15H2,1-3H3,(H2,27,28,29,30)