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

Systemtic Name: 9-(3-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-chlorophenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O2/c1-3-4-5-6-7-8-13-29-21(30)19-20(26(2)23(29)31)25-22-27(14-10-15-28(19)22)18-12-9-11-17(24)16-18/h9,11-12,16H,3-8,10,13-15H2,1-2H3/q+2