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

Systemtic Name: 4-methyl-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzohydrazide Openeye Name: 4-methyl-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide CAS Name: 4-methyl-N'-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]benzohydrazide IUPAC Name: 4-methyl-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide Traditional Name: 4-methyl-N'-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]benzohydrazide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c1-14-7-9-15(10-8-14)20(29)26-25-18(28)12-30-21-17-11-24-27(19(17)22-13-23-21)16-5-3-2-4-6-16/h2-11,13H,12H2,1H3,(H,25,28)(H,26,29)