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

Systemtic Name: 5-chloranyl-2-methoxy-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]benzohydrazide Openeye Name: 5-chloro-2-methoxy-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide CAS Name: 5-chloro-2-methoxy-N'-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]benzohydrazide IUPAC Name: 5-chloro-2-methoxy-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]benzohydrazide Traditional Name: 5-chloro-2-methoxy-N'-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]benzohydrazide Formula: C21H17ClN6O3S MolecularWeight: 468.91608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)NNC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN6O3S/c1-31-17-8-7-13(22)9-15(17)20(30)27-26-18(29)11-32-21-16-10-25-28(19(16)23-12-24-21)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,26,29)(H,27,30)