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

Systemtic Name: 3-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]propanoic acid Openeye Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]propanoic acid CAS Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]propanoic acid IUPAC Name: 3-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]propanoic acid Traditional Name: 3-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]propionic acid Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-4-6-14-17-18(24(3)23-14)20(27)22-19(21-17)13-11-12(8-10-16(25)26)7-9-15(13)28-5-2/h7,9,11H,4-6,8,10H2,1-3H3,(H,25,26)(H,21,22,27)