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

Systemtic Name: 7-(4-bromophenyl)-2,4-dimethyl-6-(3-oxidanylpropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(4-bromophenyl)-6-(3-hydroxypropyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(4-bromophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(4-bromophenyl)-6-(3-hydroxypropyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(4-bromophenyl)-6-(3-hydroxypropyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCO)C4=CC=C(C=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCCO)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H18BrN5O3/c1-21-15-14(16(26)22(2)18(21)27)24-10-13(11-4-6-12(19)7-5-11)23(8-3-9-25)17(24)20-15/h4-7,10,25H,3,8-9H2,1-2H3