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

Systemtic Name: 3-dodecyl-9-(2-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-dodecyl-9-(2-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-dodecyl-9-(2-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-dodecyl-9-(2-ethylphenyl)-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(2-ethylphenyl)-3-lauryl-1,7-dimethyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C30H45N5O2+2 MolecularWeight: 507.7106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=[N+]3CC(CN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC)C

InChI

InChI=1S/C30H45N5O2/c1-5-7-8-9-10-11-12-13-14-17-20-33-28(36)26-27(32(4)30(33)37)31-29-34(21-23(3)22-35(26)29)25-19-16-15-18-24(25)6-2/h15-16,18-19,23H,5-14,17,20-22H2,1-4H3/q+2