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

Systemtic Name: 3-decyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-decyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-decyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-decyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-decyl-9-(4-dimethylaminophenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C27H40N6O2+2 MolecularWeight: 480.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C27H40N6O2/c1-5-6-7-8-9-10-11-12-18-33-25(34)23-24(30(4)27(33)35)28-26-31(19-13-20-32(23)26)22-16-14-21(15-17-22)29(2)3/h14-17H,5-13,18-20H2,1-4H3/q+2