N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-amine

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoranyl-4-morpholin-4-yl-pyrimidin-2-amine Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-5-fluoro-4-morpholino-pyrimidin-2-amine CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-(4-morpholinyl)-2-pyrimidinamine IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine Traditional Name: [(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-(5-fluoro-4-morpholino-pyrimidin-2-yl)amine Formula: C16H15BrFN5O3 MolecularWeight: 424.224403

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=NC=C2F)NN=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1COCCN1C2=NC(=NC=C2F)N/N=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C16H15BrFN5O3/c17-11-6-14-13(25-9-26-14)5-10(11)7-20-22-16-19-8-12(18)15(21-16)23-1-3-24-4-2-23/h5-8H,1-4,9H2,(H,19,21,22)/b20-7+