8-chloranyl-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(4-pyridylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(pyridin-4-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(4-pyridylmethyl)xanthine Formula: C13H12ClN5O2 MolecularWeight: 305.71968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN5O2/c1-17-10-9(11(20)18(2)13(17)21)19(12(14)16-10)7-8-3-5-15-6-4-8/h3-6H,7H2,1-2H3