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

Systemtic Name: 6-[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-(4-iodo-2-methyl-anilino)-2-keto-ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H11IN5O2S- MolecularWeight: 440.23891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12IN5O2S/c1-7-4-8(15)2-3-10(7)17-11(21)6-23-14-18-12-9(5-16-20-12)13(22)19-14/h2-5H,6H2,1H3,(H,17,21)(H2,16,18,19,20,22)/p-1