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

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(4-nitrophenyl)acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(4-nitrophenyl)acetamide Formula: C18H20N8O3 MolecularWeight: 396.4032

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N8O3/c1-23-17-15(10-21-23)18(20-12-19-17)25-8-6-24(7-9-25)11-16(27)22-13-2-4-14(5-3-13)26(28)29/h2-5,10,12H,6-9,11H2,1H3,(H,22,27)