5-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzamide

Systemtic Name: 5-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzamide Openeye Name: 5-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzamide CAS Name: 5-[[4-(3-chloro-4-methoxyanilino)-5-fluoro-2-pyrimidinyl]amino]-2-(4-methyl-1-piperazinyl)benzamide IUPAC Name: 5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzamide Traditional Name: 5-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]-2-(4-methylpiperazino)benzamide Formula: C23H25ClFN7O2 MolecularWeight: 485.941703

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=C(C=C4)OC)Cl)F)C(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=C(C=C4)OC)Cl)F)C(=O)N

InChI

InChI=1S/C23H25ClFN7O2/c1-31-7-9-32(10-8-31)19-5-3-14(11-16(19)21(26)33)29-23-27-13-18(25)22(30-23)28-15-4-6-20(34-2)17(24)12-15/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H2,27,28,29,30)