N'-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-4-nitro-benzohydrazide

Systemtic Name: N'-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-4-nitro-benzohydrazide Openeye Name: N'-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-4-nitro-benzohydrazide CAS Name: N'-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-4-nitrobenzohydrazide IUPAC Name: N'-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-4-nitrobenzohydrazide Traditional Name: N'-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-4-nitro-benzohydrazide Formula: C15H13N7O4S MolecularWeight: 387.37322

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)NNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O4S/c1-21-13-11(6-18-21)15(17-8-16-13)27-7-12(23)19-20-14(24)9-2-4-10(5-3-9)22(25)26/h2-6,8H,7H2,1H3,(H,19,23)(H,20,24)