1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone

Systemtic Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Openeye Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone CAS Name: 1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-2-(2-nitrophenoxy)ethanone IUPAC Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(2-nitrophenoxy)ethanone Traditional Name: 1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-2-(2-nitrophenoxy)ethanone Formula: C18H19N7O4 MolecularWeight: 397.38796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)COC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H19N7O4/c1-22-17-13(10-21-22)18(20-12-19-17)24-8-6-23(7-9-24)16(26)11-29-15-5-3-2-4-14(15)25(27)28/h2-5,10,12H,6-9,11H2,1H3