7-[2-[[(2R)-1-chloranylbutan-2-yl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[(2R)-1-chloranylbutan-2-yl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[(1R)-1-(chloromethyl)propyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(2R)-1-chlorobutan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(2R)-1-chlorobutan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[(1R)-1-(chloromethyl)propyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C13H20ClN5O2 MolecularWeight: 313.7832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCl)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@H](CCl)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H20ClN5O2/c1-4-9(7-14)15-5-6-19-8-16-11-10(19)12(20)18(3)13(21)17(11)2/h8-9,15H,4-7H2,1-3H3/t9-/m1/s1