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

Systemtic Name: 1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1-pyrrolidinylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(pyrrolidin-1-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(pyrrolidinomethyl)xanthine Formula: C12H17N5O2 MolecularWeight: 263.29568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O2/c1-14-10-9(11(18)15(2)12(14)19)17(7-13-10)8-16-5-3-4-6-16/h7H,3-6,8H2,1-2H3