2-[(4-bromophenyl)methyl]-6-butan-2-yl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2-[(4-bromophenyl)methyl]-6-butan-2-yl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-[(4-bromophenyl)methyl]-4,7,8-trimethyl-6-sec-butyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 2-[(4-bromophenyl)methyl]-6-butan-2-yl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2-[(4-bromophenyl)methyl]-6-butan-2-yl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2-(4-bromobenzyl)-4,7,8-trimethyl-6-sec-butyl-purin[7,8-a]imidazole-1,3-quinone Formula: C21H24BrN5O2 MolecularWeight: 458.35156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br)C)C

Isomeric SMILES

CCC(C)N1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC4=CC=C(C=C4)Br)C)C

InChI

InChI=1S/C21H24BrN5O2/c1-6-12(2)26-13(3)14(4)27-17-18(23-20(26)27)24(5)21(29)25(19(17)28)11-15-7-9-16(22)10-8-15/h7-10,12H,6,11H2,1-5H3