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

Systemtic Name: 8-(2-chloranylphenoxy)-7-heptyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(2-chlorophenoxy)-7-heptyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(2-chlorophenoxy)-7-heptyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(2-chlorophenoxy)-7-heptyl-1,3-dimethyl-xanthine Formula: C20H25ClN4O3 MolecularWeight: 404.8905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1OC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1OC3=CC=CC=C3Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H25ClN4O3/c1-4-5-6-7-10-13-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)28-15-12-9-8-11-14(15)21/h8-9,11-12H,4-7,10,13H2,1-3H3