4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethyl]-2H-phthalazin-1-one Formula: C20H20N8O2 MolecularWeight: 404.4252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C20H20N8O2/c1-26-18-15(11-23-26)19(22-12-21-18)28-8-6-27(7-9-28)17(29)10-16-13-4-2-3-5-14(13)20(30)25-24-16/h2-5,11-12H,6-10H2,1H3,(H,25,30)