5-(2-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-(2-methylpropoxy)pyridine-3-carboxylic acid

Systemtic Name: 5-(2-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-(2-methylpropoxy)pyridine-3-carboxylic acid Openeye Name: 6-isobutoxy-5-(2-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridine-3-carboxylic acid CAS Name: 5-(2-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-(2-methylpropoxy)-3-pyridinecarboxylic acid IUPAC Name: 5-(2-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-6-(2-methylpropoxy)pyridine-3-carboxylic acid Traditional Name: 6-isobutoxy-5-(7-keto-2-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)nicotinic acid Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=CC(=CN=C3OCC(C)C)C(=O)O

Isomeric SMILES

CCCC1=C2C(=NN1C)C(=O)N=C(N2)C3=CC(=CN=C3OCC(C)C)C(=O)O

InChI

InChI=1S/C19H23N5O4/c1-5-6-13-14-15(23-24(13)4)17(25)22-16(21-14)12-7-11(19(26)27)8-20-18(12)28-9-10(2)3/h7-8,10H,5-6,9H2,1-4H3,(H,26,27)(H,21,22,25)