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

Systemtic Name: 6-(4-bromophenyl)-2-butyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-bromophenyl)-2-butyl-4,7,8-trimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-2-butyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-2-butyl-4,7,8-trimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-bromophenyl)-2-butyl-4,7,8-trimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C20H22BrN5O2 MolecularWeight: 444.32498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)Br)C)C)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C(=C(N3C4=CC=C(C=C4)Br)C)C)N(C1=O)C

InChI

InChI=1S/C20H22BrN5O2/c1-5-6-11-24-18(27)16-17(23(4)20(24)28)22-19-25(12(2)13(3)26(16)19)15-9-7-14(21)8-10-15/h7-10H,5-6,11H2,1-4H3