[2-(methylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate CAS Name: 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoate Traditional Name: 3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionic acid [2-keto-2-(methylamino)ethyl] ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)COC(=O)CCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O4/c1-18-14(23)10-26-15(24)8-7-13-20-16-12(17(25)21-13)9-19-22(16)11-5-3-2-4-6-11/h2-6,9,19H,7-8,10H2,1H3,(H,18,23)