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

Systemtic Name: 5-[[4-[(3-chloranyl-4-methoxy-phenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzonitrile CAS Name: 5-[[4-(3-chloro-4-methoxyanilino)-5-fluoro-2-pyrimidinyl]amino]-2-(4-methyl-1-piperazinyl)benzonitrile IUPAC Name: 5-[[4-(3-chloro-4-methoxyanilino)-5-fluoropyrimidin-2-yl]amino]-2-(4-methylpiperazin-1-yl)benzonitrile Traditional Name: 5-[[4-(3-chloro-4-methoxy-anilino)-5-fluoro-pyrimidin-2-yl]amino]-2-(4-methylpiperazino)benzonitrile Formula: C23H23ClFN7O MolecularWeight: 467.926423

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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#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#N

InChI

InChI=1S/C23H23ClFN7O/c1-31-7-9-32(10-8-31)20-5-3-16(11-15(20)13-26)29-23-27-14-19(25)22(30-23)28-17-4-6-21(33-2)18(24)12-17/h3-6,11-12,14H,7-10H2,1-2H3,(H2,27,28,29,30)