9-cyclohexyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione

Systemtic Name: 9-cyclohexyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-cyclohexyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-cyclohexyl-1-methyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C23H27N5O3+2 MolecularWeight: 421.49218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CC(=O)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN1C2=NC3=[N+](CCC[N+]3=C2C(=O)N(C1=O)CC(=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C23H27N5O3/c1-25-20-19(21(30)28(23(25)31)15-18(29)16-9-4-2-5-10-16)27-14-8-13-26(22(27)24-20)17-11-6-3-7-12-17/h2,4-5,9-10,17H,3,6-8,11-15H2,1H3/q+2