6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate

Systemtic Name: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H12N5O4S- MolecularWeight: 358.35188

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=NN4)C(=N3)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=NN4)C(=N3)[O-]

InChI

InChI=1S/C15H13N5O4S/c21-12(17-8-1-2-10-11(5-8)24-4-3-23-10)7-25-15-18-13-9(6-16-20-13)14(22)19-15/h1-2,5-6H,3-4,7H2,(H,17,21)(H2,16,18,19,20,22)/p-1