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

Systemtic Name: 3-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoic acid Openeye Name: 3-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoic acid CAS Name: 3-[(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoic acid Traditional Name: 3-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoic acid Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)NC3=CC=CC(=C3)C(=O)O)N(N=C2C)C

Isomeric SMILES

CCC1=NC2=C(C(=N1)NC3=CC=CC(=C3)C(=O)O)N(N=C2C)C

InChI

InChI=1S/C16H17N5O2/c1-4-12-18-13-9(2)20-21(3)14(13)15(19-12)17-11-7-5-6-10(8-11)16(22)23/h5-8H,4H2,1-3H3,(H,22,23)(H,17,18,19)