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

Systemtic Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(4-fluorophenyl)methyl]-4,7-dimethyl-6-phenethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(4-fluorobenzyl)-4,7-dimethyl-6-phenethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C24H22FN5O2 MolecularWeight: 431.462183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)F)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1CCC4=CC=CC=C4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)F)C

InChI

InChI=1S/C24H22FN5O2/c1-16-14-29-20-21(26-23(29)28(16)13-12-17-6-4-3-5-7-17)27(2)24(32)30(22(20)31)15-18-8-10-19(25)11-9-18/h3-11,14H,12-13,15H2,1-2H3