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

Systemtic Name: 6-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C15H14N5O2S- MolecularWeight: 328.36896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=N2)[O-]

InChI

InChI=1S/C15H15N5O2S/c1-9-2-4-10(5-3-9)6-16-12(21)8-23-15-18-13-11(7-17-20-13)14(22)19-15/h2-5,7H,6,8H2,1H3,(H,16,21)(H2,17,18,19,20,22)/p-1