3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanoic acid

Systemtic Name: 3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanoic acid Openeye Name: 3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanoic acid CAS Name: 3-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]propanoic acid IUPAC Name: 3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanoic acid Traditional Name: 3-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propionic acid Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)NCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)NCCC(=O)O

InChI

InChI=1S/C16H16N6O4/c23-13(24)6-7-17-16(26)18-9-12-20-14-11(15(25)21-12)8-19-22(14)10-4-2-1-3-5-10/h1-5,8,19H,6-7,9H2,(H,23,24)(H2,17,18,26)