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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-7-(2-hydroxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-7-(2-hydroxyethyl)-3-methyl-xanthine Formula: C15H15ClN4O3 MolecularWeight: 334.7576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C=N2)CCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C=N2)CCO

InChI

InChI=1S/C15H15ClN4O3/c1-18-13-12(19(6-7-21)9-17-13)14(22)20(15(18)23)8-10-2-4-11(16)5-3-10/h2-5,9,21H,6-8H2,1H3