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

Systemtic Name: 3-hexyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 3-hexyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 3-hexyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 3-hexyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 3-hexyl-1,7-dimethyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C24H33N5O2+2 MolecularWeight: 423.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4)C

Isomeric SMILES

CCCCCCN1C(=O)C2=[N+]3CC(C[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H33N5O2/c1-4-5-6-10-14-28-22(30)20-21(26(3)24(28)31)25-23-27(16-18(2)17-29(20)23)15-13-19-11-8-7-9-12-19/h7-9,11-12,18H,4-6,10,13-17H2,1-3H3/q+2