2-[[5-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-4-nitro-phenolate

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-4-nitro-phenolate Openeye Name: 2-[[5-(4-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-4-nitro-phenolate CAS Name: 2-[[[5-(4-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-4-nitrophenolate IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanylmethyl]-4-nitrophenolate Traditional Name: 2-[[[4-keto-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]methyl]-4-nitro-phenolate Formula: C19H14N5O5S- MolecularWeight: 424.40996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=C(C=CC(=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C19H15N5O5S/c1-29-14-5-2-12(3-6-14)23-18(26)15-9-20-22-17(15)21-19(23)30-10-11-8-13(24(27)28)4-7-16(11)25/h2-9,25H,10H2,1H3,(H,20,22)/p-1