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

Systemtic Name: 8-(2-chloranylphenoxy)-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-(2-chlorophenoxy)-1,3-dimethyl-7-octyl-xanthine Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1OC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1OC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H27ClN4O3/c1-4-5-6-7-8-11-14-26-17-18(24(2)21(28)25(3)19(17)27)23-20(26)29-16-13-10-9-12-15(16)22/h9-10,12-13H,4-8,11,14H2,1-3H3