1,3,7-trimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-(2-pyridylmethylamino)purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-(2-pyridinylmethylamino)purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-(2-pyridylmethylamino)xanthine Formula: C14H16N6O2 MolecularWeight: 300.31584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CC=N3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H16N6O2/c1-18-10-11(19(2)14(22)20(3)12(10)21)17-13(18)16-8-9-6-4-5-7-15-9/h4-7H,8H2,1-3H3,(H,16,17)