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

Systemtic Name: 8-bromanyl-7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(3-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(3-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-(3-chlorobenzyl)-3-methyl-xanthine Formula: C13H10BrClN4O2 MolecularWeight: 369.6011

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C13H10BrClN4O2/c1-18-10-9(11(20)17-13(18)21)19(12(14)16-10)6-7-3-2-4-8(15)5-7/h2-5H,6H2,1H3,(H,17,20,21)