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

Systemtic Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(3-oxidanylidenebutan-2-yl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(1-methyl-2-oxo-propyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(3-oxobutan-2-yl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-bromophenyl)-2-(2-keto-1-methyl-propyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C19H18BrN5O3 MolecularWeight: 444.28192

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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)C(C)C(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN5O3/c1-10-9-23-15-16(21-18(23)24(10)14-7-5-13(20)6-8-14)22(4)19(28)25(17(15)27)11(2)12(3)26/h5-9,11H,1-4H3