4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 4-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-N-phenyl-piperazine-1-carboxamide Formula: C19H21N7O2S MolecularWeight: 411.48074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H21N7O2S/c1-24-17-15(11-22-24)18(21-13-20-17)29-12-16(27)25-7-9-26(10-8-25)19(28)23-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,23,28)