methyl 5-[(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylate Openeye Name: methyl 5-[(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylate CAS Name: 5-[(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid methyl ester Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(O3)C(=O)OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C16H18N4O4/c1-16(2,3)20-13-11(7-18-20)14(21)19(9-17-13)8-10-5-6-12(24-10)15(22)23-4/h5-7,9H,8H2,1-4H3