2-[(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]propanoic acid

Systemtic Name: 2-[(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]propanoic acid Openeye Name: 2-[(4-oxo-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]propanoic acid CAS Name: 2-[(4-oxo-1,5-diphenyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]propanoic acid IUPAC Name: 2-[(4-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-yl)amino]propanoic acid Traditional Name: 2-[(4-keto-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]propionic acid Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)O)NC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3/c1-13(19(27)28)22-20-23-17-16(12-21-25(17)15-10-6-3-7-11-15)18(26)24(20)14-8-4-2-5-9-14/h2-13H,1H3,(H,22,23)(H,27,28)