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

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenethyl-purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenethyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenethylpurine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenethylpurine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-phenethyl-xanthine Formula: C21H18BrClN4O2 MolecularWeight: 473.75022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H18BrClN4O2/c1-25-18-17(27(20(22)24-18)13-15-9-5-6-10-16(15)23)19(28)26(21(25)29)12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3