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

Systemtic Name: 4-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Openeye Name: 4-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate CAS Name: 4-[(5-ethyl-1,3-dimethyl-7-pyrazolo[4,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 4-[(5-ethyl-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Traditional Name: 4-[(5-ethyl-1,3-dimethyl-pyrazolo[4,3-d]pyrimidin-7-yl)amino]benzoate Formula: C16H16N5O2- MolecularWeight: 310.33054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=NC2=C(C(=N1)NC3=CC=C(C=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)17-11-7-5-10(6-8-11)16(22)23/h5-8H,4H2,1-3H3,(H,22,23)(H,17,18,19)/p-1