9-(5-chloranyl-2-methyl-phenyl)-1-methyl-3-nonyl-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-nonyl-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-nonyl-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-nonyl-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-nonyl-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-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C25H34ClN5O2+2 MolecularWeight: 472.02276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C25H34ClN5O2/c1-4-5-6-7-8-9-10-14-31-23(32)21-22(28(3)25(31)33)27-24-29(15-11-16-30(21)24)20-17-19(26)13-12-18(20)2/h12-13,17H,4-11,14-16H2,1-3H3/q+2