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

Systemtic Name: 6-[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-[(2-chlorobenzyl)amino]-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H11ClN5O2S- MolecularWeight: 348.78744

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN5O2S/c15-10-4-2-1-3-8(10)5-16-11(21)7-23-14-18-12-9(6-17-20-12)13(22)19-14/h1-4,6H,5,7H2,(H,16,21)(H2,17,18,19,20,22)/p-1