2-[7-oxidanylidene-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[7-oxidanylidene-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid CAS Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid IUPAC Name: 2-[7-oxo-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid Traditional Name: 2-[7-keto-5-(2-propoxyphenyl)-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-1-yl]acetic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)CC(=O)O

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC=CC=C3OCCC)CC(=O)O

InChI

InChI=1S/C19H22N4O4/c1-3-7-13-16-17(23(22-13)11-15(24)25)19(26)21-18(20-16)12-8-5-6-9-14(12)27-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,24,25)(H,20,21,26)