N-[2-(4-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethyl]-3,5-dinitro-benzamide

Systemtic Name: N-[2-(4-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethyl]-3,5-dinitro-benzamide Openeye Name: N-[2-(4-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethyl]-3,5-dinitro-benzamide CAS Name: N-[2-(4-amino-1-methyl-3-pyrazolo[3,4-d]pyrimidinyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: N-[2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)ethyl]-3,5-dinitrobenzamide Traditional Name: N-[2-(4-amino-1-methyl-pyrazolo[3,4-d]pyrimidin-3-yl)ethyl]-3,5-dinitro-benzamide Formula: C15H14N8O5 MolecularWeight: 386.32226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=NC=N2)N

Isomeric SMILES

CN1C2=C(C(=N1)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C(=NC=N2)N

InChI

InChI=1S/C15H14N8O5/c1-21-14-12(13(16)18-7-19-14)11(20-21)2-3-17-15(24)8-4-9(22(25)26)6-10(5-8)23(27)28/h4-7H,2-3H2,1H3,(H,17,24)(H2,16,18,19)