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

Systemtic Name: 9-cyclohexyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 9-cyclohexyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 9-cyclohexyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 9-cyclohexyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 9-cyclohexyl-1,7-dimethyl-3-phenacyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C24H29N5O3+2 MolecularWeight: 435.51876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CC1C[N+](=C2N=C3C(=[N+]2C1)C(=O)N(C(=O)N3C)CC(=O)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C24H29N5O3/c1-16-13-27(18-11-7-4-8-12-18)23-25-21-20(28(23)14-16)22(31)29(24(32)26(21)2)15-19(30)17-9-5-3-6-10-17/h3,5-6,9-10,16,18H,4,7-8,11-15H2,1-2H3/q+2