7-[2-[[(4-chlorophenyl)-phenyl-methylidene]amino]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[[(4-chlorophenyl)-phenyl-methylidene]amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[(4-chlorophenyl)-phenyl-methylene]amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(4-chlorophenyl)-phenylmethylidene]amino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(4-chlorophenyl)-phenylmethylidene]amino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[(4-chlorophenyl)-phenyl-methylene]amino]ethyl]-1,3-dimethyl-xanthine Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN5O2/c1-26-20-19(21(29)27(2)22(26)30)28(14-25-20)13-12-24-18(15-6-4-3-5-7-15)16-8-10-17(23)11-9-16/h3-11,14H,12-13H2,1-2H3