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

Systemtic Name: 2-[(4-bromophenyl)methyl]-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(4-bromophenyl)methyl]-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(4-bromophenyl)methyl]-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(4-bromophenyl)methyl]-4,7-dimethyl-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(4-bromobenzyl)-4,7-dimethyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C16H14BrN5O2 MolecularWeight: 388.21866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1)N(C(=O)N(C3=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1)N(C(=O)N(C3=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C16H14BrN5O2/c1-9-7-21-12-13(19-15(21)18-9)20(2)16(24)22(14(12)23)8-10-3-5-11(17)6-4-10/h3-7H,8H2,1-2H3,(H,18,19)