8-[2-(4-chlorophenyl)ethylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-[2-(4-chlorophenyl)ethylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-[2-(4-chlorophenyl)ethylamino]-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[2-(4-chlorophenyl)ethylamino]-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-[2-(4-chlorophenyl)ethylamino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-[2-(4-chlorophenyl)ethylamino]-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C26H24ClN5O2 MolecularWeight: 473.95406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=C(C=C3)Cl)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=C(C=C3)Cl)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H24ClN5O2/c1-30-23-22(24(33)31(2)26(30)34)32(16-19-8-5-7-18-6-3-4-9-21(18)19)25(29-23)28-15-14-17-10-12-20(27)13-11-17/h3-13H,14-16H2,1-2H3,(H,28,29)