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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CN=C(N=C2N1C3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CN=C(N=C2N1C3=CC=CC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

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