6-(4-bromophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(4-bromophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-bromophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-2-heptyl-4-methyl-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-bromophenyl)-2-heptyl-4-methyl-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C21H26BrN5O2 MolecularWeight: 460.36744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)Br)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2CCN3C4=CC=C(C=C4)Br)N(C1=O)C

InChI

InChI=1S/C21H26BrN5O2/c1-3-4-5-6-7-12-27-19(28)17-18(24(2)21(27)29)23-20-25(13-14-26(17)20)16-10-8-15(22)9-11-16/h8-11H,3-7,12-14H2,1-2H3