methyl 4,5-dimethoxy-2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C18H19N5O6 MolecularWeight: 401.37336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C18H19N5O6/c1-22-16-11(7-20-22)17(25)23(9-19-16)8-15(24)21-12-6-14(28-3)13(27-2)5-10(12)18(26)29-4/h5-7,9H,8H2,1-4H3,(H,21,24)