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

Systemtic Name: 9-(5-chloranyl-2-methyl-phenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(5-chloro-2-methyl-phenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(5-chloro-2-methylphenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(5-chloro-2-methylphenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(5-chloro-2-methyl-phenyl)-1-methyl-3-octyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C24H32ClN5O2+2 MolecularWeight: 457.99618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClN5O2/c1-4-5-6-7-8-9-13-30-22(31)20-21(27(3)24(30)32)26-23-28(14-10-15-29(20)23)19-16-18(25)12-11-17(19)2/h11-12,16H,4-10,13-15H2,1-3H3/q+2