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

Systemtic Name: 3-decyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 3-decyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 3-decyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 3-decyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 3-decyl-9-(2-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C27H39N5O2+2 MolecularWeight: 465.63086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

Isomeric SMILES

CCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC=CC=C4CC

InChI

InChI=1S/C27H39N5O2/c1-4-6-7-8-9-10-11-14-18-32-25(33)23-24(29(3)27(32)34)28-26-30(19-15-20-31(23)26)22-17-13-12-16-21(22)5-2/h12-13,16-17H,4-11,14-15,18-20H2,1-3H3/q+2