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

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-[4-(2-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-[4-(2-nitrophenyl)piperazino]ethanone Formula: C18H19N7O3S MolecularWeight: 413.45356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O3S/c1-22-17-13(10-21-22)18(20-12-19-17)29-11-16(26)24-8-6-23(7-9-24)14-4-2-3-5-15(14)25(27)28/h2-5,10,12H,6-9,11H2,1H3