7-[2-[[(3-chlorophenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[(3-chlorophenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[(3-chlorophenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(3-chlorophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(3-chlorophenyl)-phenylmethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[(3-chlorophenyl)-phenyl-methyl]amino]ethyl]-1,3-dimethyl-xanthine Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClN5O2/c1-26-20-19(21(29)27(2)22(26)30)28(14-25-20)12-11-24-18(15-7-4-3-5-8-15)16-9-6-10-17(23)13-16/h3-10,13-14,18,24H,11-12H2,1-2H3