8-[2-(4-chloranylphenoxy)ethylamino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[2-(4-chloranylphenoxy)ethylamino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenoxy)ethylamino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[2-(4-chlorophenoxy)ethylamino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenoxy)ethylamino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 8-[2-(4-chlorophenoxy)ethylamino]-1,3,7-trimethyl-xanthine Formula: C16H18ClN5O3 MolecularWeight: 363.79882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCOC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCOC3=CC=C(C=C3)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H18ClN5O3/c1-20-12-13(21(2)16(24)22(3)14(12)23)19-15(20)18-8-9-25-11-6-4-10(17)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,19)