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

Systemtic Name: methyl 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylate Openeye Name: methyl 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylate CAS Name: 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-butoxy-5-[3-ethyl-2-(2-methoxyethyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl]pyridine-3-carboxylate Traditional Name: 6-butoxy-5-[3-ethyl-7-keto-2-(2-methoxyethyl)-4H-pyrazolo[4,3-d]pyrimidin-5-yl]nicotinic acid methyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC)C(=O)OC

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)CCOC)C(=O)OC

InChI

InChI=1S/C21H27N5O5/c1-5-7-9-31-20-14(11-13(12-22-20)21(28)30-4)18-23-16-15(6-2)26(8-10-29-3)25-17(16)19(27)24-18/h11-12H,5-10H2,1-4H3,(H,23,24,27)