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

Systemtic Name: 9-cyclohexyl-1,7-dimethyl-3-(2-oxidanylidenepropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 3-acetonyl-9-cyclohexyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-1,7-dimethyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-1,7-dimethyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 3-acetonyl-9-cyclohexyl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C19H27N5O3+2 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C)C4CCCCC4

Isomeric SMILES

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C)C4CCCCC4

InChI

InChI=1S/C19H27N5O3/c1-12-9-22(14-7-5-4-6-8-14)18-20-16-15(23(18)10-12)17(26)24(11-13(2)25)19(27)21(16)3/h12,14H,4-11H2,1-3H3/q+2