N-[(E)-[5-[[3-chloranyl-4-(4-methylpiperazin-2-yl)phenyl]amino]pyridin-2-yl]methylideneamino]-5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-amine

Systemtic Name: N-[(E)-[5-[[3-chloranyl-4-(4-methylpiperazin-2-yl)phenyl]amino]pyridin-2-yl]methylideneamino]-5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-amine Openeye Name: N-[(E)-[5-[3-chloro-4-(4-methylpiperazin-2-yl)anilino]-2-pyridyl]methyleneamino]-5-fluoro-4-morpholino-pyrimidin-2-amine CAS Name: N-[(E)-[5-[3-chloro-4-(4-methyl-2-piperazinyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-(4-morpholinyl)-2-pyrimidinamine IUPAC Name: N-[(E)-[5-[3-chloro-4-(4-methylpiperazin-2-yl)anilino]pyridin-2-yl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine Traditional Name: [(E)-[5-[3-chloro-4-(4-methylpiperazin-2-yl)anilino]-2-pyridyl]methyleneamino]-(5-fluoro-4-morpholino-pyrimidin-2-yl)amine Formula: C25H29ClFN9O MolecularWeight: 526.008863

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(C1)C2=C(C=C(C=C2)NC3=CN=C(C=C3)C=NNC4=NC=C(C(=N4)N5CCOCC5)F)Cl

Isomeric SMILES

CN1CCNC(C1)C2=C(C=C(C=C2)NC3=CN=C(C=C3)/C=N/NC4=NC=C(C(=N4)N5CCOCC5)F)Cl

InChI

InChI=1S/C25H29ClFN9O/c1-35-7-6-28-23(16-35)20-5-4-17(12-21(20)26)32-19-3-2-18(29-13-19)14-31-34-25-30-15-22(27)24(33-25)36-8-10-37-11-9-36/h2-5,12-15,23,28,32H,6-11,16H2,1H3,(H,30,33,34)/b31-14+