6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-6-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]-1-methoxy-2H-pyridine-3-carboxylic acid

Systemtic Name: 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-6-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl]-1-methoxy-2H-pyridine-3-carboxylic acid Openeye Name: 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-6-methyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl]-1-methoxy-2H-pyridine-3-carboxylic acid CAS Name: 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-6-methyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl]-1-methoxy-2H-pyridine-3-carboxylic acid IUPAC Name: 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-6-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]-1-methoxy-2H-pyridine-3-carboxylic acid Traditional Name: 6-butoxy-5-[3-ethyl-7-keto-2-(2-methoxyethyl)-6-methyl-pyrazolo[4,3-d]pyrimidin-5-yl]-1-methoxy-2H-pyridine-3-carboxylic acid Formula: C22H31N5O6 MolecularWeight: 461.51144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(CN1OC)C(=O)O)C2=NC3=C(N(N=C3C(=O)N2C)CCOC)CC

Isomeric SMILES

CCCCOC1=C(C=C(CN1OC)C(=O)O)C2=NC3=C(N(N=C3C(=O)N2C)CCOC)CC

InChI

InChI=1S/C22H31N5O6/c1-6-8-10-33-21-15(12-14(22(29)30)13-27(21)32-5)19-23-17-16(7-2)26(9-11-31-4)24-18(17)20(28)25(19)3/h12H,6-11,13H2,1-5H3,(H,29,30)