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

Systemtic Name: 1,3-dimethyl-7-[2-[methyl(pyridin-2-yl)amino]ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[methyl(2-pyridyl)amino]ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[methyl(2-pyridinyl)amino]ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[methyl(pyridin-2-yl)amino]ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-[methyl(2-pyridyl)amino]ethyl]xanthine Formula: C15H18N6O2 MolecularWeight: 314.34242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C3=CC=CC=N3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C3=CC=CC=N3

InChI

InChI=1S/C15H18N6O2/c1-18(11-6-4-5-7-16-11)8-9-21-10-17-13-12(21)14(22)20(3)15(23)19(13)2/h4-7,10H,8-9H2,1-3H3