7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-dimethyl-xanthine Formula: C13H19Cl2N5O2 MolecularWeight: 348.22826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(CCCl)CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(CCCl)CCCl

InChI

InChI=1S/C13H19Cl2N5O2/c1-17-11-10(12(21)18(2)13(17)22)20(9-16-11)8-7-19(5-3-14)6-4-15/h9H,3-8H2,1-2H3