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

Systemtic Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-methoxyphenyl)-1,7-dimethyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C35H55N5O3+2 MolecularWeight: 593.8429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C35H55N5O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-38-33(41)31-32(37(3)35(38)42)36-34-39(26-28(2)27-40(31)34)29-22-21-23-30(25-29)43-4/h21-23,25,28H,5-20,24,26-27H2,1-4H3/q+2