2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-phenethylacetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-phenethyl-acetamide Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H25N7O/c1-25-19-17(13-24-25)20(23-15-22-19)27-11-9-26(10-12-27)14-18(28)21-8-7-16-5-3-2-4-6-16/h2-6,13,15H,7-12,14H2,1H3,(H,21,28)