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

Systemtic Name: 3-dodecyl-9-(2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-dodecyl-9-(2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-dodecyl-9-(2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-dodecyl-9-(2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-lauryl-9-(2-methoxyphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C29H43N5O3+2 MolecularWeight: 509.68342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4OC)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4OC)C

InChI

InChI=1S/C29H43N5O3/c1-5-6-7-8-9-10-11-12-13-16-19-32-27(35)25-26(31(3)29(32)36)30-28-33(20-22(2)21-34(25)28)23-17-14-15-18-24(23)37-4/h14-15,17-18,22H,5-13,16,19-21H2,1-4H3/q+2