8-bromanyl-1,3-dimethyl-9-(pyridin-3-ylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-(pyridin-3-ylmethyl)purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-(3-pyridylmethyl)purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-(3-pyridinylmethyl)purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-(pyridin-3-ylmethyl)purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-(3-pyridylmethyl)xanthine Formula: C13H12BrN5O2 MolecularWeight: 350.17068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CN=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CN=CC=C3)Br

InChI

InChI=1S/C13H12BrN5O2/c1-17-10-9(11(20)18(2)13(17)21)16-12(14)19(10)7-8-4-3-5-15-6-8/h3-6H,7H2,1-2H3