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

Systemtic Name: 3-butyl-8-(chloromethyl)-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-(chloromethyl)-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-(chloromethyl)-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-(chloromethyl)-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-(chloromethyl)-7-ethyl-xanthine Formula: C12H17ClN4O2 MolecularWeight: 284.74198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN4O2/c1-3-5-6-17-10-9(11(18)15-12(17)19)16(4-2)8(7-13)14-10/h3-7H2,1-2H3,(H,15,18,19)