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

Systemtic Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-N-(3-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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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