4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-nitro-benzamide Formula: C17H18N8O3 MolecularWeight: 382.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N8O3/c1-22-16-12(9-21-22)17(20-10-19-16)24-6-4-23(5-7-24)13-3-2-11(15(18)26)8-14(13)25(27)28/h2-3,8-10H,4-7H2,1H3,(H2,18,26)