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

Systemtic Name: 2-phenoxy-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]ethanehydrazide Openeye Name: 2-phenoxy-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]acetohydrazide CAS Name: N'-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]-2-phenoxyacetohydrazide IUPAC Name: 2-phenoxy-N'-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]acetohydrazide Traditional Name: 2-phenoxy-N'-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]acetohydrazide Formula: C21H18N6O3S MolecularWeight: 434.47102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NNC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)NNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H18N6O3S/c28-18(12-30-16-9-5-2-6-10-16)25-26-19(29)13-31-21-17-11-24-27(20(17)22-14-23-21)15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H,25,28)(H,26,29)