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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

Isomeric SMILES

CCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

InChI

InChI=1S/C24H33N5O2/c1-4-6-7-8-11-15-29-22(30)20-21(26(3)24(29)31)25-23-27(16-12-17-28(20)23)19-14-10-9-13-18(19)5-2/h9-10,13-14H,4-8,11-12,15-17H2,1-3H3/q+2