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

Systemtic Name: 6-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H14N5O4S- MolecularWeight: 360.36776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-])OC

InChI

InChI=1S/C15H15N5O4S/c1-23-8-3-4-10(11(5-8)24-2)17-12(21)7-25-15-18-13-9(6-16-20-13)14(22)19-15/h3-6H,7H2,1-2H3,(H,17,21)(H2,16,18,19,20,22)/p-1