4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoate

Systemtic Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoate Openeye Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoate CAS Name: 4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]butanoate IUPAC Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoate Traditional Name: 4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butyrate Formula: C15H14N5O2- MolecularWeight: 296.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)NCCCC(=O)[O-]

InChI

InChI=1S/C15H15N5O2/c21-13(22)7-4-8-16-14-12-9-19-20(15(12)18-10-17-14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,21,22)(H,16,17,18)/p-1