N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2-ethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-(2-ethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-(2-ethyl-7-oxo-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[(2-ethyl-7-oxo-6-propyl-5-pyrazolo[4,3-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-(2-ethyl-7-oxo-6-propylpyrazolo[4,3-d]pyrimidin-5-yl)sulfanylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[(2-ethyl-7-keto-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)thio]acetamide Formula: C18H19BrFN5O2S MolecularWeight: 468.343163

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=NN(C=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F)CC

Isomeric SMILES

CCCN1C(=O)C2=NN(C=C2N=C1SCC(=O)NC3=C(C=C(C=C3)Br)F)CC

InChI

InChI=1S/C18H19BrFN5O2S/c1-3-7-25-17(27)16-14(9-24(4-2)23-16)22-18(25)28-10-15(26)21-13-6-5-11(19)8-12(13)20/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,26)