2-[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide

Systemtic Name: 2-[6-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanamide Openeye Name: 2-[6-(2-amino-2-oxo-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide CAS Name: 2-[[6-[(2-amino-2-oxoethyl)thio]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: 2-[6-(2-amino-2-oxoethyl)sulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: 2-[[6-[(2-amino-2-keto-ethyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C15H14N6O2S2 MolecularWeight: 374.44066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC(=O)N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCC(=O)N)SCC(=O)N

InChI

InChI=1S/C15H14N6O2S2/c16-11(22)7-24-14-10-6-18-21(9-4-2-1-3-5-9)13(10)19-15(20-14)25-8-12(17)23/h1-6H,7-8H2,(H2,16,22)(H2,17,23)