N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethyl]-2-phenoxy-acetamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CNC(=O)COC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C20H23N7O3/c1-25-19-16(11-24-25)20(23-14-22-19)27-9-7-26(8-10-27)18(29)12-21-17(28)13-30-15-5-3-2-4-6-15/h2-6,11,14H,7-10,12-13H2,1H3,(H,21,28)