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

Systemtic Name: 7-[2-[[(4-chlorophenyl)-phenyl-methyl]-methyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[[(4-chlorophenyl)-phenyl-methyl]-methyl-amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[[(4-chlorophenyl)-phenylmethyl]-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[[(4-chlorophenyl)-phenylmethyl]-methylamino]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[[(4-chlorophenyl)-phenyl-methyl]-methyl-amino]ethyl]-1,3-dimethyl-xanthine Formula: C23H24ClN5O2 MolecularWeight: 437.92196

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H24ClN5O2/c1-26(19(16-7-5-4-6-8-16)17-9-11-18(24)12-10-17)13-14-29-15-25-21-20(29)22(30)28(3)23(31)27(21)2/h4-12,15,19H,13-14H2,1-3H3