1-methyl-3-(2-oxidanylidenepropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 1-methyl-3-(2-oxidanylidenepropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-acetonyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 1-methyl-3-(2-oxopropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 1-methyl-3-(2-oxopropyl)-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-acetonyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C18H19N5O3+2 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)CN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4

InChI

InChI=1S/C18H19N5O3/c1-12(24)11-23-16(25)14-15(20(2)18(23)26)19-17-21(9-6-10-22(14)17)13-7-4-3-5-8-13/h3-5,7-8H,6,9-11H2,1-2H3/q+2