3-[(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate

Systemtic Name: 3-[(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Openeye Name: 3-[(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate CAS Name: 3-[(1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 3-[(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Traditional Name: 3-[(1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Formula: C14H12N5O2- MolecularWeight: 282.27738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=CN=C2NC3=CC=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C2=C1N=CN=C2NC3=CC=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C14H13N5O2/c1-8-11-12(19(2)18-8)13(16-7-15-11)17-10-5-3-4-9(6-10)14(20)21/h3-7H,1-2H3,(H,20,21)(H,15,16,17)/p-1