1-[(4-chloranylphenoxy)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-chloranylphenoxy)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-1-[(4-chlorophenoxy)methyl]-3-methyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenoxy)methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1-[(4-chlorophenoxy)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-1-[(4-chlorophenoxy)methyl]-3-methyl-xanthine Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)COC3=CC=C(C=C3)Cl)N(C=N2)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)COC3=CC=C(C=C3)Cl)N(C=N2)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4O3/c1-23-18-17(24(12-22-18)11-14-5-3-2-4-6-14)19(26)25(20(23)27)13-28-16-9-7-15(21)8-10-16/h2-10,12H,11,13H2,1H3