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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=C(C=CC(=C3)C(=O)[O-])C

Isomeric SMILES

CCN1C(=O)C2=C(C(=NN2C)C)N=C1NC3=C(C=CC(=C3)C(=O)[O-])C

InChI

InChI=1S/C17H19N5O3/c1-5-22-15(23)14-13(10(3)20-21(14)4)19-17(22)18-12-8-11(16(24)25)7-6-9(12)2/h6-8H,5H2,1-4H3,(H,18,19)(H,24,25)/p-1