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

Systemtic Name: 9-(4-butylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-butylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-butylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-butylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-butylphenyl)-1,7-dimethyl-3-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C28H33N5O2+2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(C[N+]3=C4C(=[N+](C(=O)N(C4=O)CCC5=CC=CC=C5)C)N=C23)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(C[N+]3=C4C(=[N+](C(=O)N(C4=O)CCC5=CC=CC=C5)C)N=C23)C

InChI

InChI=1S/C28H33N5O2/c1-4-5-9-22-12-14-23(15-13-22)32-18-20(2)19-33-24-25(29-27(32)33)30(3)28(35)31(26(24)34)17-16-21-10-7-6-8-11-21/h6-8,10-15,20H,4-5,9,16-19H2,1-3H3/q+2