1-methyl-3-octadecyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione

Systemtic Name: 1-methyl-3-octadecyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Openeye Name: 1-methyl-3-octadecyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione CAS Name: 1-methyl-3-octadecyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione IUPAC Name: 1-methyl-3-octadecyl-9-phenethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-dione Traditional Name: 1-methyl-9-phenethyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-5,9-diium-2,4-quinone Formula: C35H55N5O2+2 MolecularWeight: 577.8435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCC[N+](=C3N=C2N(C1=O)C)CCC4=CC=CC=C4

InChI

InChI=1S/C35H55N5O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-40-33(41)31-32(37(2)35(40)42)36-34-38(26-22-28-39(31)34)29-25-30-23-19-18-20-24-30/h18-20,23-24H,3-17,21-22,25-29H2,1-2H3/q+2