9-(5-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-(5-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-(5-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-(5-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-(5-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-(5-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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-40-32(41)30-31(37(3)34(40)42)36-33-38(24-20-25-39(30)33)29-26-28(35)22-21-27(29)2/h21-22,26H,4-20,23-25H2,1-3H3/q+2