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

Systemtic Name: 7-hexyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-hexyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-hexyl-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-hexyl-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-hexyl-3-methyl-8-pyrrolidino-xanthine Formula: C16H25N5O2 MolecularWeight: 319.402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

InChI

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