N-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-amine

Systemtic Name: N-[(E)-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-amine Openeye Name: N-[(E)-(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyleneamino]-5-fluoro-4-morpholino-pyrimidin-2-amine CAS Name: N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-fluoro-4-(4-morpholinyl)-2-pyrimidinamine IUPAC Name: N-[(E)-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine Traditional Name: [(E)-(4-benzoxy-3-bromo-5-methoxy-benzylidene)amino]-(5-fluoro-4-morpholino-pyrimidin-2-yl)amine Formula: C23H23BrFN5O3 MolecularWeight: 516.362823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=NC=C(C(=N2)N3CCOCC3)F)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC2=NC=C(C(=N2)N3CCOCC3)F)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23BrFN5O3/c1-31-20-12-17(11-18(24)21(20)33-15-16-5-3-2-4-6-16)13-27-29-23-26-14-19(25)22(28-23)30-7-9-32-10-8-30/h2-6,11-14H,7-10,15H2,1H3,(H,26,28,29)/b27-13+