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

Systemtic Name: 7-decyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-decyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-decyl-3-methyl-8-pyrrolidino-xanthine Formula: C20H33N5O2 MolecularWeight: 375.50832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C20H33N5O2/c1-3-4-5-6-7-8-9-10-15-25-16-17(23(2)20(27)22-18(16)26)21-19(25)24-13-11-12-14-24/h3-15H2,1-2H3,(H,22,26,27)