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

Systemtic Name: tert-butyl 3-[5-(5-ethanoyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[5-(5-acetyl-2-propoxy-3-pyridyl)-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate CAS Name: 3-[5-(5-acetyl-2-propoxy-3-pyridinyl)-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[5-(5-acetyl-2-propoxypyridin-3-yl)-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Traditional Name: 3-[5-(5-acetyl-2-propoxy-3-pyridyl)-7-keto-3-propyl-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:

CCCC1=C2C(=NN1C3CN(C3)C(=O)OC(C)(C)C)C(=O)N=C(N2)C4=CC(=CN=C4OCCC)C(=O)C

Isomeric SMILES

CCCC1=C2C(=NN1C3CN(C3)C(=O)OC(C)(C)C)C(=O)N=C(N2)C4=CC(=CN=C4OCCC)C(=O)C

InChI

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