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

Systemtic Name: 9-(3-chloranyl-2-methyl-phenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-chloro-2-methyl-phenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-chloro-2-methylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-chloro-2-methylphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-chloro-2-methyl-phenyl)-1-methyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C34H52ClN5O2+2 MolecularWeight: 598.26198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C34H52ClN5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-40-32(41)30-31(37(3)34(40)42)36-33-38(25-21-26-39(30)33)29-23-20-22-28(35)27(29)2/h20,22-23H,4-19,21,24-26H2,1-3H3/q+2