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

Systemtic Name: 9-(4-butylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-butylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-butylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-butylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-butylphenyl)-3-hexyl-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H35N5O2+2 MolecularWeight: 437.5777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)CCCC

Isomeric SMILES

CCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)CCCC

InChI

InChI=1S/C25H35N5O2/c1-4-6-8-9-16-30-23(31)21-22(27(3)25(30)32)26-24-28(17-10-18-29(21)24)20-14-12-19(13-15-20)11-7-5-2/h12-15H,4-11,16-18H2,1-3H3/q+2