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

Systemtic Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C26H37N5O3+2 MolecularWeight: 467.60368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O3/c1-5-6-7-8-9-10-11-15-29-24(32)22-23(28(3)26(29)33)27-25-30(17-19(2)18-31(22)25)20-13-12-14-21(16-20)34-4/h12-14,16,19H,5-11,15,17-18H2,1-4H3/q+2