1-(2-chloroethyl)-3,7-diethyl-purine-2,6-dione

Systemtic Name: 1-(2-chloroethyl)-3,7-diethyl-purine-2,6-dione Openeye Name: 1-(2-chloroethyl)-3,7-diethyl-purine-2,6-dione CAS Name: 1-(2-chloroethyl)-3,7-diethylpurine-2,6-dione IUPAC Name: 1-(2-chloroethyl)-3,7-diethylpurine-2,6-dione Traditional Name: 1-(2-chloroethyl)-3,7-diethyl-xanthine Formula: C11H15ClN4O2 MolecularWeight: 270.7154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCl

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCl

InChI

InChI=1S/C11H15ClN4O2/c1-3-14-7-13-9-8(14)10(17)16(6-5-12)11(18)15(9)4-2/h7H,3-6H2,1-2H3