2-[[5-(3,4-dimethylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(3,4-dimethylphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethyl-dimethyl-ammonium CAS Name: 2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]ethyl-dimethylammonium IUPAC Name: 2-[[5-(3,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethyl-dimethylazanium Traditional Name: 2-[[5-(3,4-dimethylphenyl)-4-keto-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]ethyl-dimethyl-ammonium Formula: C17H22N5OS+ MolecularWeight: 344.45448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC[NH+](C)C)C

InChI

InChI=1S/C17H21N5OS/c1-11-5-6-13(9-12(11)2)22-16(23)14-10-18-20-15(14)19-17(22)24-8-7-21(3)4/h5-6,9-10H,7-8H2,1-4H3,(H,18,20)/p+1