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

Systemtic Name: 7-[3-[[(3-chlorophenyl)-phenyl-methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[[(3-chlorophenyl)-phenyl-methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[(3-chlorophenyl)-phenylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[(3-chlorophenyl)-phenylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[(3-chlorophenyl)-phenyl-methyl]amino]propyl]-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)CCCNC(C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN5O2/c1-27-21-20(22(30)28(2)23(27)31)29(15-26-21)13-7-12-25-19(16-8-4-3-5-9-16)17-10-6-11-18(24)14-17/h3-6,8-11,14-15,19,25H,7,12-13H2,1-2H3