8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-(2-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-(2-oxidanylpropyl)purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-(2-hydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-(2-hydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-1-(2-hydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-1-(2-hydroxypropyl)-3-methyl-xanthine Formula: C16H16BrClN4O3 MolecularWeight: 427.68024

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C)O

Isomeric SMILES

CC(CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Cl)Br)N(C1=O)C)O

InChI

InChI=1S/C16H16BrClN4O3/c1-9(23)7-22-14(24)12-13(20(2)16(22)25)19-15(17)21(12)8-10-5-3-4-6-11(10)18/h3-6,9,23H,7-8H2,1-2H3