1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-xanthine Formula: C22H30N4O3 MolecularWeight: 398.4986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1OC3=CC=CC(=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1OC3=CC=CC(=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H30N4O3/c1-5-6-7-8-9-10-14-26-18-19(24(3)22(28)25(4)20(18)27)23-21(26)29-17-13-11-12-16(2)15-17/h11-13,15H,5-10,14H2,1-4H3