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

Systemtic Name: 6-[2-[(2-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(2-ethoxyanilino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(2-ethoxyanilino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-(o-phenetidino)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H14N5O3S- MolecularWeight: 344.36836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C15H15N5O3S/c1-2-23-11-6-4-3-5-10(11)17-12(21)8-24-15-18-13-9(7-16-20-13)14(22)19-15/h3-7H,2,8H2,1H3,(H,17,21)(H2,16,18,19,20,22)/p-1