N-[4-ethoxy-3-(1-ethyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-fluoranyl-benzamide

Systemtic Name: N-[4-ethoxy-3-(1-ethyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-fluoranyl-benzamide Openeye Name: N-[4-ethoxy-3-(1-ethyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-fluoro-benzamide CAS Name: N-[4-ethoxy-3-(1-ethyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-fluorobenzamide IUPAC Name: N-[4-ethoxy-3-(1-ethyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-fluorobenzamide Traditional Name: N-[4-ethoxy-3-(1-ethyl-7-keto-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-fluoro-benzamide Formula: C25H26FN5O5S MolecularWeight: 527.567843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)F)OCC)CC

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)NC(=O)C4=CC=C(C=C4)F)OCC)CC

InChI

InChI=1S/C25H26FN5O5S/c1-4-7-19-21-22(31(5-2)29-19)25(33)28-23(27-21)18-14-17(12-13-20(18)36-6-3)37(34,35)30-24(32)15-8-10-16(26)11-9-15/h8-14H,4-7H2,1-3H3,(H,30,32)(H,27,28,33)