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

Systemtic Name: 6-[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(benzylcarbamoylamino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(benzylcarbamoylamino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(benzylcarbamoylamino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H13N6O3S- MolecularWeight: 357.36712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O3S/c22-11(18-14(24)16-6-9-4-2-1-3-5-9)8-25-15-19-12-10(7-17-21-12)13(23)20-15/h1-5,7H,6,8H2,(H2,16,18,22,24)(H2,17,19,20,21,23)/p-1