7-butyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-butyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-butyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-butyl-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-butyl-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-butyl-3-methyl-8-pyrrolidino-xanthine Formula: C14H21N5O2 MolecularWeight: 291.34884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H21N5O2/c1-3-4-9-19-10-11(17(2)14(21)16-12(10)20)15-13(19)18-7-5-6-8-18/h3-9H2,1-2H3,(H,16,20,21)