3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpentane-2,4-dione

Systemtic Name: 3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpentane-2,4-dione Openeye Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpentane-2,4-dione CAS Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpentane-2,4-dione IUPAC Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpentane-2,4-dione Traditional Name: 3-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpentane-2,4-dione Formula: C22H26N4O6S MolecularWeight: 474.53004

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)C(C(=O)C)C(=O)C)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O6S/c1-6-8-16-18-19(26(5)25-16)22(29)24-21(23-18)15-11-14(9-10-17(15)32-7-2)33(30,31)20(12(3)27)13(4)28/h9-11,20H,6-8H2,1-5H3,(H,23,24,29)