7-(2-bromoethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(2-bromoethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-(2-bromoethyl)-3-isobutyl-purine-2,6-dione CAS Name: 7-(2-bromoethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-bromoethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(2-bromoethyl)-3-isobutyl-xanthine Formula: C11H15BrN4O2 MolecularWeight: 315.1664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CCBr

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CCBr

InChI

InChI=1S/C11H15BrN4O2/c1-7(2)5-16-9-8(10(17)14-11(16)18)15(4-3-12)6-13-9/h6-7H,3-5H2,1-2H3,(H,14,17,18)