tert-butyl 3-[5-(2-butoxy-5-ethanoyl-phenyl)-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-phenyl)-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-phenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate CAS Name: 3-[5-(5-acetyl-2-butoxyphenyl)-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-butoxyphenyl)-3-ethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Traditional Name: 3-[5-(5-acetyl-2-butoxy-phenyl)-3-ethyl-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H35N5O5/c1-7-9-12-36-21-11-10-17(16(3)33)13-19(21)24-28-22-20(8-2)32(30-23(22)25(34)29-24)18-14-31(15-18)26(35)37-27(4,5)6/h10-11,13,18H,7-9,12,14-15H2,1-6H3,(H,28,29,34)