1,3-dimethyl-7-(2-pyridin-4-ylethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-pyridin-4-ylethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(4-pyridyl)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-(2-pyridin-4-ylethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-pyridin-4-ylethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(4-pyridyl)ethyl]xanthine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CC=NC=C3

InChI

InChI=1S/C14H15N5O2/c1-17-12-11(13(20)18(2)14(17)21)19(9-16-12)8-5-10-3-6-15-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3