3-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-4-yl)-5,7-dinitro-1,3-dihydroindol-2-one

Systemtic Name: 3-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-4-yl)-5,7-dinitro-1,3-dihydroindol-2-one Openeye Name: 3-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-4-yl)-5,7-dinitro-indolin-2-one CAS Name: 3-(2-cyclopentyl-4-pyrazolo[3,4-d]pyrimidinyl)-5,7-dinitro-1,3-dihydroindol-2-one IUPAC Name: 3-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-4-yl)-5,7-dinitro-1,3-dihydroindol-2-one Traditional Name: 3-(2-cyclopentylpyrazolo[3,4-d]pyrimidin-4-yl)-5,7-dinitro-oxindole Formula: C18H15N7O5 MolecularWeight: 409.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C3C(=NC=NC3=N2)C4C5=CC(=CC(=C5NC4=O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)N2C=C3C(=NC=NC3=N2)C4C5=CC(=CC(=C5NC4=O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N7O5/c26-18-14(11-5-10(24(27)28)6-13(25(29)30)15(11)21-18)16-12-7-23(9-3-1-2-4-9)22-17(12)20-8-19-16/h5-9,14H,1-4H2,(H,21,26)