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

Systemtic Name: methyl 2-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 2-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 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]benzoic acid methyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5O4/c1-20-14-11(7-18-20)15(23)21(9-17-14)8-13(22)19-12-6-4-3-5-10(12)16(24)25-2/h3-7,9H,8H2,1-2H3,(H,19,22)