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

Systemtic Name: 7-[3-[[(4-chlorophenyl)-pyridin-4-yl-methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[[(4-chlorophenyl)-(4-pyridyl)methyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[[(4-chlorophenyl)-pyridin-4-ylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[[(4-chlorophenyl)-(4-pyridyl)methyl]amino]propyl]-1,3-dimethyl-xanthine Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN6O2/c1-27-20-19(21(30)28(2)22(27)31)29(14-26-20)13-3-10-25-18(16-8-11-24-12-9-16)15-4-6-17(23)7-5-15/h4-9,11-12,14,18,25H,3,10,13H2,1-2H3