8-chloranyl-7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-(2-diethylaminoethyl)-1,3-dimethyl-xanthine Formula: C13H20ClN5O2 MolecularWeight: 313.7832

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN(CC)CCN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H20ClN5O2/c1-5-18(6-2)7-8-19-9-10(15-12(19)14)16(3)13(21)17(4)11(9)20/h5-8H2,1-4H3