3-butyl-8-(chloromethyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(chloromethyl)-7-methyl-purine-2,6-dione Openeye Name: 3-butyl-8-(chloromethyl)-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(chloromethyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(chloromethyl)-7-methylpurine-2,6-dione Traditional Name: 3-butyl-8-(chloromethyl)-7-methyl-xanthine Formula: C11H15ClN4O2 MolecularWeight: 270.7154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCl)C

InChI

InChI=1S/C11H15ClN4O2/c1-3-4-5-16-9-8(10(17)14-11(16)18)15(2)7(6-12)13-9/h3-6H2,1-2H3,(H,14,17,18)