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

Systemtic Name: 1,3-dimethyl-7-[3-[[phenyl(pyridin-3-yl)methyl]amino]propyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[3-[[phenyl(3-pyridyl)methyl]amino]propyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[3-[[phenyl(3-pyridinyl)methyl]amino]propyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[3-[[phenyl(pyridin-3-yl)methyl]amino]propyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-[[phenyl(3-pyridyl)methyl]amino]propyl]xanthine Formula: C22H24N6O2 MolecularWeight: 404.46496

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O2/c1-26-20-19(21(29)27(2)22(26)30)28(15-25-20)13-7-12-24-18(16-8-4-3-5-9-16)17-10-6-11-23-14-17/h3-6,8-11,14-15,18,24H,7,12-13H2,1-2H3