tert-butyl 3-[5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate

Systemtic Name: tert-butyl 3-[5-(2-butoxy-5-ethanoyl-pyridin-3-yl)-3-ethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate CAS Name: 3-[5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(5-acetyl-2-butoxypyridin-3-yl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Traditional Name: 3-[5-(5-acetyl-2-butoxy-3-pyridyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C26H34N6O5 MolecularWeight: 510.58536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C)C(=O)C

Isomeric SMILES

CCCCOC1=NC=C(C=C1C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C)C(=O)C

InChI

InChI=1S/C26H34N6O5/c1-7-9-10-36-24-18(11-16(12-27-24)15(3)33)22-28-20-19(8-2)32(30-21(20)23(34)29-22)17-13-31(14-17)25(35)37-26(4,5)6/h11-12,17H,7-10,13-14H2,1-6H3,(H,28,29,34)