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

Systemtic Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C19H18N8O2 MolecularWeight: 390.39862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C19H18N8O2/c1-25-16-14(10-22-25)17(21-11-20-16)26-6-8-27(9-7-26)19(29)15-12-4-2-3-5-13(12)18(28)24-23-15/h2-5,10-11H,6-9H2,1H3,(H,24,28)