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

Systemtic Name: 3-butyl-8-(chloromethyl)-7-propyl-purine-2,6-dione Openeye Name: 3-butyl-8-(chloromethyl)-7-propyl-purine-2,6-dione CAS Name: 3-butyl-8-(chloromethyl)-7-propylpurine-2,6-dione IUPAC Name: 3-butyl-8-(chloromethyl)-7-propylpurine-2,6-dione Traditional Name: 3-butyl-8-(chloromethyl)-7-propyl-xanthine Formula: C13H19ClN4O2 MolecularWeight: 298.76856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN4O2/c1-3-5-7-18-11-10(12(19)16-13(18)20)17(6-4-2)9(8-14)15-11/h3-8H2,1-2H3,(H,16,19,20)