4-[(1,3-dimethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate

Systemtic Name: 4-[(1,3-dimethyl-7-oxidanylidene-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate Openeye Name: 4-[(1,3-dimethyl-7-oxo-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate CAS Name: 4-[(1,3-dimethyl-7-oxo-6-propyl-5-pyrazolo[4,3-d]pyrimidinyl)amino]benzoate IUPAC Name: 4-[(1,3-dimethyl-7-oxo-6-propylpyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate Traditional Name: 4-[(7-keto-1,3-dimethyl-6-propyl-pyrazolo[4,3-d]pyrimidin-5-yl)amino]benzoate Formula: C17H18N5O3- MolecularWeight: 340.35652

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H19N5O3/c1-4-9-22-15(23)14-13(10(2)20-21(14)3)19-17(22)18-12-7-5-11(6-8-12)16(24)25/h5-8H,4,9H2,1-3H3,(H,18,19)(H,24,25)/p-1