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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-(pyrrolidinomethyl)xanthine Formula: C12H16ClN5O2 MolecularWeight: 297.74074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CN3CCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CN3CCCC3

InChI

InChI=1S/C12H16ClN5O2/c1-15-9-8(10(19)16(2)12(15)20)18(11(13)14-9)7-17-5-3-4-6-17/h3-7H2,1-2H3