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

Systemtic Name: 3-[(6-ethyl-1,3-dimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Openeye Name: 3-[(6-ethyl-1,3-dimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid CAS Name: 3-[(6-ethyl-1,3-dimethyl-7-oxo-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(6-ethyl-1,3-dimethyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Traditional Name: 3-[(6-ethyl-7-keto-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H17N5O3/c1-4-21-14(22)13-12(9(2)19-20(13)3)18-16(21)17-11-7-5-6-10(8-11)15(23)24/h5-8H,4H2,1-3H3,(H,17,18)(H,23,24)