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

Systemtic Name: 6-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-[[(1S)-1-(2-naphthyl)ethyl]amino]-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-[[(1S)-1-(2-naphthalenyl)ethyl]amino]-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-[[(1S)-1-(2-naphthyl)ethyl]amino]ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C19H16N5O2S- MolecularWeight: 378.42764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NC4=C(C=NN4)C(=N3)[O-]

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NC4=C(C=NN4)C(=N3)[O-]

InChI

InChI=1S/C19H17N5O2S/c1-11(13-7-6-12-4-2-3-5-14(12)8-13)21-16(25)10-27-19-22-17-15(9-20-24-17)18(26)23-19/h2-9,11H,10H2,1H3,(H,21,25)(H2,20,22,23,24,26)/p-1/t11-/m0/s1