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

Systemtic Name: 2-[(4-bromophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(4-bromophenyl)methyl]-6-cyclopentyl-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(4-bromophenyl)methyl]-6-cyclopentyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(4-bromophenyl)methyl]-6-cyclopentyl-4,7-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(4-bromobenzyl)-6-cyclopentyl-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H22BrN5O2 MolecularWeight: 456.33568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)Br)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC5=CC=C(C=C5)Br)C

InChI

InChI=1S/C21H22BrN5O2/c1-13-11-25-17-18(23-20(25)27(13)16-5-3-4-6-16)24(2)21(29)26(19(17)28)12-14-7-9-15(22)10-8-14/h7-11,16H,3-6,12H2,1-2H3