1-[11-[2-(4-chlorophenyl)ethylamino]undecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[11-[2-(4-chlorophenyl)ethylamino]undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-[2-(4-chlorophenyl)ethylamino]undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-[2-(4-chlorophenyl)ethylamino]undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-[2-(4-chlorophenyl)ethylamino]undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-[2-(4-chlorophenyl)ethylamino]undecyl]-3,7-dimethyl-xanthine Formula: C26H38ClN5O2 MolecularWeight: 488.06522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNCCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNCCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H38ClN5O2/c1-30-20-29-24-23(30)25(33)32(26(34)31(24)2)19-11-9-7-5-3-4-6-8-10-17-28-18-16-21-12-14-22(27)15-13-21/h12-15,20,28H,3-11,16-19H2,1-2H3