7-(4-ethylphenyl)-2,4-dimethyl-6-octadecyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-octadecyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-octadecyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-octadecylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-octadecylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-ethylphenyl)-2,4-dimethyl-6-stearyl-purin[7,8-a]imidazole-1,3-quinone Formula: C35H53N5O2 MolecularWeight: 575.82762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)CC

InChI

InChI=1S/C35H53N5O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-39-30(29-24-22-28(6-2)23-25-29)27-40-31-32(36-34(39)40)37(3)35(42)38(4)33(31)41/h22-25,27H,5-21,26H2,1-4H3