1,3-dimethyl-8-(pyridin-4-ylmethylamino)-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(pyridin-4-ylmethylamino)-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-pyridylmethylamino)-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(pyridin-4-ylmethylamino)-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(pyridin-4-ylmethylamino)-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-pyridylmethylamino)-7H-purine-2,6-quinone Formula: C13H14N6O2 MolecularWeight: 286.28926

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=NC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=NC=C3

InChI

InChI=1S/C13H14N6O2/c1-18-10-9(11(20)19(2)13(18)21)16-12(17-10)15-7-8-3-5-14-6-4-8/h3-6H,7H2,1-2H3,(H2,15,16,17)