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

Systemtic Name: 3-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]-4-methyl-benzoic acid Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2/c1-5-13-19-14-10(3)21-22(4)15(14)16(20-13)18-12-8-11(17(23)24)7-6-9(12)2/h6-8H,5H2,1-4H3,(H,23,24)(H,18,19,20)