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

Systemtic Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(2-oxidanylidenepropyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 2-acetonyl-6-(4-bromophenyl)-4,7-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-bromophenyl)-4,7-dimethyl-2-(2-oxopropyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 2-acetonyl-6-(4-bromophenyl)-4,7-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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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)CC(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O3/c1-10-8-22-14-15(21(3)18(27)23(16(14)26)9-11(2)25)20-17(22)24(10)13-6-4-12(19)5-7-13/h4-8H,9H2,1-3H3