3-[(3-methyl-4-oxidanylidene-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-methyl-4-oxidanylidene-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]benzoic acid Openeye Name: 3-[[3-methyl-4-oxo-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid CAS Name: 3-[(3-methyl-4-oxo-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]benzoic acid IUPAC Name: 3-[(3-methyl-4-oxo-6-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl]benzoic acid Traditional Name: 3-[[4-keto-3-methyl-6-(4-pyridyl)-2H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]benzoic acid Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC1=C2C(=NC(=NC2=O)C3=CC=NC=C3)N(N1)CC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C19H15N5O3/c1-11-15-17(21-16(22-18(15)25)13-5-7-20-8-6-13)24(23-11)10-12-3-2-4-14(9-12)19(26)27/h2-9,23H,10H2,1H3,(H,26,27)