6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(benzylamino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(benzylamino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H12N5O2S- MolecularWeight: 314.34238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C14H13N5O2S/c20-11(15-6-9-4-2-1-3-5-9)8-22-14-17-12-10(7-16-19-12)13(21)18-14/h1-5,7H,6,8H2,(H,15,20)(H2,16,17,18,19,21)/p-1