1,3-dimethyl-7-octyl-8-phenoxy-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-octyl-8-phenoxy-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-octyl-8-phenoxy-purine-2,6-dione CAS Name: 1,3-dimethyl-7-octyl-8-phenoxypurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-octyl-8-phenoxypurine-2,6-dione Traditional Name: 1,3-dimethyl-7-octyl-8-phenoxy-xanthine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-4-5-6-7-8-12-15-25-17-18(23(2)21(27)24(3)19(17)26)22-20(25)28-16-13-10-9-11-14-16/h9-11,13-14H,4-8,12,15H2,1-3H3