2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl 3,5-dinitrobenzoate

Systemtic Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl 3,5-dinitrobenzoate Openeye Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]ethyl ester IUPAC Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl ester Formula: C15H13N7O6 MolecularWeight: 387.30702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N7O6/c1-20-14-12(7-19-20)13(17-8-18-14)16-2-3-28-15(23)9-4-10(21(24)25)6-11(5-9)22(26)27/h4-8H,2-3H2,1H3,(H,16,17,18)