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

Systemtic Name: 9-(2,4-dimethoxyphenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(2,4-dimethoxyphenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(2,4-dimethoxyphenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(2,4-dimethoxyphenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(2,4-dimethoxyphenyl)-1-methyl-3-nonyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C26H37N5O4+2 MolecularWeight: 483.60308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37N5O4/c1-5-6-7-8-9-10-11-15-31-24(32)22-23(28(2)26(31)33)27-25-29(16-12-17-30(22)25)20-14-13-19(34-3)18-21(20)35-4/h13-14,18H,5-12,15-17H2,1-4H3/q+2