N-(2-chloranyl-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[[5-(4-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(4-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[[5-(4-methoxyphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[4-keto-5-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide Formula: C20H15ClN6O5S MolecularWeight: 486.8883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN6O5S/c1-32-13-5-2-11(3-6-13)26-19(29)14-9-22-25-18(14)24-20(26)33-10-17(28)23-16-7-4-12(27(30)31)8-15(16)21/h2-9H,10H2,1H3,(H,22,25)(H,23,28)