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

Systemtic Name: 6-[2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-[(2-ethoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-[(2-ethoxy-2-oxoethyl)amino]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-[(2-ethoxy-2-keto-ethyl)amino]-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C11H12N5O4S- MolecularWeight: 310.30908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC2=C(C=NN2)C(=N1)[O-]

InChI

InChI=1S/C11H13N5O4S/c1-2-20-8(18)4-12-7(17)5-21-11-14-9-6(3-13-16-9)10(19)15-11/h3H,2,4-5H2,1H3,(H,12,17)(H2,13,14,15,16,19)/p-1