8-(6-methoxypyridin-3-yl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-(6-methoxypyridin-3-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-(6-methoxy-3-pyridyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(6-methoxy-3-pyridinyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-(6-methoxypyridin-3-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-(6-methoxy-3-pyridyl)-3,7-dimethyl-xanthine Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CN=C(C=C3)OC)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CN=C(C=C3)OC)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H13N5O3/c1-17-9-11(18(2)13(20)16-12(9)19)15-10(17)7-4-5-8(21-3)14-6-7/h4-6H,1-3H3,(H,16,19,20)