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

Systemtic Name: 6-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Openeye Name: 6-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate CAS Name: 6-[[2-(4-methylanilino)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate IUPAC Name: 6-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-olate Traditional Name: 6-[[2-keto-2-(p-toluidino)ethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-olate Formula: C14H12N5O2S- MolecularWeight: 314.34238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c1-8-2-4-9(5-3-8)16-11(20)7-22-14-17-12-10(6-15-19-12)13(21)18-14/h2-6H,7H2,1H3,(H,16,20)(H2,15,17,18,19,21)/p-1