2-[3-methyl-1-(6-methylpyrimidin-4-yl)-6-oxidanylidene-3aH-pyrazolo[3,4-b]pyridin-4-yl]ethanoic acid

Systemtic Name: 2-[3-methyl-1-(6-methylpyrimidin-4-yl)-6-oxidanylidene-3aH-pyrazolo[3,4-b]pyridin-4-yl]ethanoic acid Openeye Name: 2-[3-methyl-1-(6-methylpyrimidin-4-yl)-6-oxo-3aH-pyrazolo[3,4-b]pyridin-4-yl]acetic acid CAS Name: 2-[3-methyl-1-(6-methyl-4-pyrimidinyl)-6-oxo-3aH-pyrazolo[3,4-b]pyridin-4-yl]acetic acid IUPAC Name: 2-[3-methyl-1-(6-methylpyrimidin-4-yl)-6-oxo-3aH-pyrazolo[3,4-b]pyridin-4-yl]acetic acid Traditional Name: 2-[6-keto-3-methyl-1-(6-methylpyrimidin-4-yl)-3aH-pyrazolo[3,4-b]pyridin-4-yl]acetic acid Formula: C14H13N5O3 MolecularWeight: 299.28472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)N2C3=NC(=O)C=C(C3C(=N2)C)CC(=O)O

Isomeric SMILES

CC1=CC(=NC=N1)N2C3=NC(=O)C=C(C3C(=N2)C)CC(=O)O

InChI

InChI=1S/C14H13N5O3/c1-7-3-10(16-6-15-7)19-14-13(8(2)18-19)9(5-12(21)22)4-11(20)17-14/h3-4,6,13H,5H2,1-2H3,(H,21,22)