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

Systemtic Name: 4-[(3-methoxy-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Openeye Name: 4-[(3-methoxy-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid CAS Name: 4-[(3-methoxy-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(3-methoxy-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)amino]benzoic acid Traditional Name: 4-[(3-methoxy-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:

COC1=NN(C2=NC(=NC=C21)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=NN(C2=NC(=NC=C21)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

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