8-[chloranyl(phenyl)methyl]-7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-[chloranyl(phenyl)methyl]-7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[chloro(phenyl)methyl]-7-(2-diethylaminoethyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[chloro(phenyl)methyl]-7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[chloro(phenyl)methyl]-7-(2-diethylaminoethyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[chloro(phenyl)methyl]-7-(2-diethylaminoethyl)-1,3-dimethyl-xanthine Formula: C20H26ClN5O2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN(CC)CCN1C2=C(N=C1C(C3=CC=CC=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26ClN5O2/c1-5-25(6-2)12-13-26-16-18(23(3)20(28)24(4)19(16)27)22-17(26)15(21)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3