1-[2-(4-chlorophenyl)ethyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[2-(4-chlorophenyl)ethyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[2-(4-chlorophenyl)ethyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[2-(4-chlorophenyl)ethyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[2-(4-chlorophenyl)ethyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-[2-(4-chlorophenyl)ethyl]-8-ethyl-7-methyl-3-propyl-xanthine Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC3=CC=C(C=C3)Cl)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC3=CC=C(C=C3)Cl)N(C(=N2)CC)C

InChI

InChI=1S/C19H23ClN4O2/c1-4-11-23-17-16(22(3)15(5-2)21-17)18(25)24(19(23)26)12-10-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3