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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(1-piperidylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(piperidinomethyl)xanthine Formula: C13H18ClN5O2 MolecularWeight: 311.76732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CN3CCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CN3CCCCC3

InChI

InChI=1S/C13H18ClN5O2/c1-16-10-9(11(20)17(2)13(16)21)19(12(14)15-10)8-18-6-4-3-5-7-18/h3-8H2,1-2H3