4-methyl-3-[(1,3,5-trimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=C2N(N=C3C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC2=NC(=NC3=C2N(N=C3C)C)C

InChI

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