8-(1-bromoethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 8-(1-bromoethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 8-(1-bromoethyl)-3-isobutyl-1-methyl-7H-purine-2,6-dione CAS Name: 8-(1-bromoethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 8-(1-bromoethyl)-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 8-(1-bromoethyl)-3-isobutyl-1-methyl-7H-purine-2,6-quinone Formula: C12H17BrN4O2 MolecularWeight: 329.19298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C)Br

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C)Br

InChI

InChI=1S/C12H17BrN4O2/c1-6(2)5-17-10-8(11(18)16(4)12(17)19)14-9(15-10)7(3)13/h6-7H,5H2,1-4H3,(H,14,15)