3,3-bis(bromanyl)-6-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-8-ium-2,5-dione

Systemtic Name: 3,3-bis(bromanyl)-6-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-8-ium-2,5-dione Openeye Name: 3,3-dibromo-6-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-8-ium-2,5-dione CAS Name: 3,3-dibromo-6-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-8-ium-2,5-dione IUPAC Name: 3,3-dibromo-6-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-8-ium-2,5-dione Traditional Name: 3,3-dibromo-6-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-8-ium-2,5-quinone Formula: C13H12Br2N3O2+ MolecularWeight: 402.06128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+]2=C(C(C(=O)N2C3=CC=CC=C3)(Br)Br)NC1=O

Isomeric SMILES

CC1C[N+]2=C(C(C(=O)N2C3=CC=CC=C3)(Br)Br)NC1=O

InChI

InChI=1S/C13H11Br2N3O2/c1-8-7-17-11(16-10(8)19)13(14,15)12(20)18(17)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3/p+1