3-[(1,3-dimethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid

Systemtic Name: 3-[(1,3-dimethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Openeye Name: 3-[(1,3-dimethyl-7-oxo-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid CAS Name: 3-[(1,3-dimethyl-7-oxo-6-propyl-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Traditional Name: 3-[(7-keto-1,3-dimethyl-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H19N5O3/c1-4-8-22-15(23)14-13(10(2)20-21(14)3)19-17(22)18-12-7-5-6-11(9-12)16(24)25/h5-7,9H,4,8H2,1-3H3,(H,18,19)(H,24,25)