N-methyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-methyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-methyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-methyl-3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-methyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]phthalazine-1-carboxamide Formula: C21H23N9O2 MolecularWeight: 433.46642

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C21H23N9O2/c1-22-20(31)17-14-5-3-4-6-15(14)21(32)30(26-17)13-28-7-9-29(10-8-28)19-16-11-25-27(2)18(16)23-12-24-19/h3-6,11-12H,7-10,13H2,1-2H3,(H,22,31)