1,3-dimethyl-7-(pyridin-4-ylmethyl)-9H-purine-2,6,8-trione

Systemtic Name: 1,3-dimethyl-7-(pyridin-4-ylmethyl)-9H-purine-2,6,8-trione Openeye Name: 1,3-dimethyl-7-(4-pyridylmethyl)-9H-purine-2,6,8-trione CAS Name: 1,3-dimethyl-7-(pyridin-4-ylmethyl)-9H-purine-2,6,8-trione IUPAC Name: 1,3-dimethyl-7-(pyridin-4-ylmethyl)-9H-purine-2,6,8-trione Traditional Name: 1,3-dimethyl-7-(4-pyridylmethyl)-9H-purine-2,6,8-trione Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=O)N2)CC3=CC=NC=C3

InChI

InChI=1S/C13H13N5O3/c1-16-10-9(11(19)17(2)13(16)21)18(12(20)15-10)7-8-3-5-14-6-4-8/h3-6H,7H2,1-2H3,(H,15,20)