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

Systemtic Name: 7-[3-[[(4-chlorophenyl)-phenyl-methyl]-methyl-amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[[(4-chlorophenyl)-phenyl-methyl]-methyl-amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[(4-chlorophenyl)-phenylmethyl]-methylamino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[(4-chlorophenyl)-phenylmethyl]-methylamino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[(4-chlorophenyl)-phenyl-methyl]-methyl-amino]propyl]-1,3-dimethyl-xanthine Formula: C24H26ClN5O2 MolecularWeight: 451.94854

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H26ClN5O2/c1-27(20(17-8-5-4-6-9-17)18-10-12-19(25)13-11-18)14-7-15-30-16-26-22-21(30)23(31)29(3)24(32)28(22)2/h4-6,8-13,16,20H,7,14-15H2,1-3H3