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

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

CCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=C(C=CC(=C4)Cl)C

InChI

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