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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)Br)N(C(=O)N(C3=O)CCCO)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C4=CC=C(C=C4)Br)N(C(=O)N(C3=O)CCCO)C

InChI

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