ethyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]coumarilic acid ethyl ester Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)CN3CCN(CC3)C4=NC=NC5=C4C=NN5C

InChI

InChI=1S/C22H24N6O3/c1-3-30-22(29)19-17(15-6-4-5-7-18(15)31-19)13-27-8-10-28(11-9-27)21-16-12-25-26(2)20(16)23-14-24-21/h4-7,12,14H,3,8-11,13H2,1-2H3