6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methyl]-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methyl]-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(2-fluorobenzyl)-6-homoveratryl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C26H26FN5O4 MolecularWeight: 491.514143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)CC5=CC=CC=C5F)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC(=C(C=C4)OC)OC)N(C(=O)N(C3=O)CC5=CC=CC=C5F)C

InChI

InChI=1S/C26H26FN5O4/c1-16-14-31-22-23(29(2)26(34)32(24(22)33)15-18-7-5-6-8-19(18)27)28-25(31)30(16)12-11-17-9-10-20(35-3)21(13-17)36-4/h5-10,13-14H,11-12,15H2,1-4H3