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

Systemtic Name: 4-methyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]phthalazin-1-one Openeye Name: 4-methyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]phthalazin-1-one CAS Name: 4-methyl-2-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 4-methyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]phthalazin-1-one Traditional Name: 4-methyl-2-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]phthalazin-1-one Formula: C20H22N8O MolecularWeight: 390.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C20H22N8O/c1-14-15-5-3-4-6-16(15)20(29)28(24-14)13-26-7-9-27(10-8-26)19-17-11-23-25(2)18(17)21-12-22-19/h3-6,11-12H,7-10,13H2,1-2H3