3-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)methyl]-2-furoic acid Formula: C12H10N4O4 MolecularWeight: 274.2322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(OC=C3)C(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC3=C(OC=C3)C(=O)O

InChI

InChI=1S/C12H10N4O4/c1-15-10-8(4-14-15)11(17)16(6-13-10)5-7-2-3-20-9(7)12(18)19/h2-4,6H,5H2,1H3,(H,18,19)