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

Systemtic Name: 9-(4-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(4-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(4-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(4-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(4-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C23H30ClN5O2+2 MolecularWeight: 443.9696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H30ClN5O2/c1-3-4-5-6-7-8-14-29-21(30)19-20(26(2)23(29)31)25-22-27(15-9-16-28(19)22)18-12-10-17(24)11-13-18/h10-13H,3-9,14-16H2,1-2H3/q+2