[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone

Systemtic Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: [4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C21H24N8O3 MolecularWeight: 436.46706

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C21H24N8O3/c1-25-19-16(13-24-25)20(23-14-22-19)27-8-10-28(11-9-27)21(30)15-4-5-17(18(12-15)29(31)32)26-6-2-3-7-26/h4-5,12-14H,2-3,6-11H2,1H3