3-butyl-7-ethyl-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-ethyl-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione Openeye Name: 3-butyl-7-ethyl-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione CAS Name: 3-butyl-7-ethyl-8-(1-pyrrolidinylmethyl)purine-2,6-dione IUPAC Name: 3-butyl-7-ethyl-8-(pyrrolidin-1-ylmethyl)purine-2,6-dione Traditional Name: 3-butyl-7-ethyl-8-(pyrrolidinomethyl)xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCCC3)CC

InChI

InChI=1S/C16H25N5O2/c1-3-5-10-21-14-13(15(22)18-16(21)23)20(4-2)12(17-14)11-19-8-6-7-9-19/h3-11H2,1-2H3,(H,18,22,23)