3-[2-(3-azidopropyl)pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromanyl-1,3-dihydroindol-2-one

Systemtic Name: 3-[2-(3-azidopropyl)pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromanyl-1,3-dihydroindol-2-one Openeye Name: 3-[2-(3-azidopropyl)pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromo-indolin-2-one CAS Name: 3-[2-(3-azidopropyl)-4-pyrazolo[3,4-d]pyrimidinyl]-5-bromo-1,3-dihydroindol-2-one IUPAC Name: 3-[2-(3-azidopropyl)pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromo-1,3-dihydroindol-2-one Traditional Name: 3-[2-(3-azidopropyl)pyrazolo[3,4-d]pyrimidin-4-yl]-5-bromo-oxindole Formula: C16H13BrN8O MolecularWeight: 413.23142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(C(=O)N2)C3=NC=NC4=NN(C=C34)CCCN=[N+]=[N-]

Isomeric SMILES

C1=CC2=C(C=C1Br)C(C(=O)N2)C3=NC=NC4=NN(C=C34)CCCN=[N+]=[N-]

InChI

InChI=1S/C16H13BrN8O/c17-9-2-3-12-10(6-9)13(16(26)22-12)14-11-7-25(5-1-4-21-24-18)23-15(11)20-8-19-14/h2-3,6-8,13H,1,4-5H2,(H,22,26)