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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClN5O2/c1-3-4-5-6-7-8-9-14-30-22(31)20-21(27(2)24(30)32)26-23-28(15-11-16-29(20)23)19-13-10-12-18(25)17-19/h10,12-13,17H,3-9,11,14-16H2,1-2H3/q+2