8-(4-chloranylphenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(4-chloranylphenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(4-chlorophenoxy)-7-isobutyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(4-chlorophenoxy)-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(4-chlorophenoxy)-7-isobutyl-1,3-dimethyl-xanthine Formula: C17H19ClN4O3 MolecularWeight: 362.81076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1OC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1OC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H19ClN4O3/c1-10(2)9-22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)25-12-7-5-11(18)6-8-12/h5-8,10H,9H2,1-4H3