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

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-bromo-7-(2-chlorobenzyl)-3-methyl-1-(3-phenylpropyl)xanthine Formula: C22H20BrClN4O2 MolecularWeight: 487.7768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C22H20BrClN4O2/c1-26-19-18(28(21(23)25-19)14-16-11-5-6-12-17(16)24)20(29)27(22(26)30)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12H,7,10,13-14H2,1H3