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

Systemtic Name: tert-butyl 3-[3-ethyl-5-(5-ethynyl-2-propoxy-pyridin-3-yl)-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Openeye Name: tert-butyl 3-[3-ethyl-5-(5-ethynyl-2-propoxy-3-pyridyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate CAS Name: 3-[3-ethyl-5-(5-ethynyl-2-propoxy-3-pyridinyl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-ethyl-5-(5-ethynyl-2-propoxypyridin-3-yl)-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylate Traditional Name: 3-[3-ethyl-5-(5-ethynyl-2-propoxy-3-pyridyl)-7-keto-4H-pyrazolo[4,3-d]pyrimidin-2-yl]azetidine-1-carboxylic acid tert-butyl ester Formula: C25H30N6O4 MolecularWeight: 478.5435

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=N1)C#C)C2=NC(=O)C3=NN(C(=C3N2)CC)C4CN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H30N6O4/c1-7-10-34-23-17(11-15(8-2)12-26-23)21-27-19-18(9-3)31(29-20(19)22(32)28-21)16-13-30(14-16)24(33)35-25(4,5)6/h2,11-12,16H,7,9-10,13-14H2,1,3-6H3,(H,27,28,32)