7-(3-bromanylpropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(3-bromanylpropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-(3-bromopropyl)-3-isobutyl-1-methyl-purine-2,6-dione CAS Name: 7-(3-bromopropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(3-bromopropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(3-bromopropyl)-3-isobutyl-1-methyl-xanthine Formula: C13H19BrN4O2 MolecularWeight: 343.21956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCBr

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCBr

InChI

InChI=1S/C13H19BrN4O2/c1-9(2)7-18-11-10(12(19)16(3)13(18)20)17(8-15-11)6-4-5-14/h8-9H,4-7H2,1-3H3