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

Systemtic Name: 8-bromanyl-7-[(2-chlorophenyl)methyl]-3-methyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[(2-chlorophenyl)methyl]-3-methyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-bromo-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 1-benzyl-8-bromo-7-(2-chlorobenzyl)-3-methyl-xanthine Formula: C20H16BrClN4O2 MolecularWeight: 459.72364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)Br)CC4=CC=CC=C4Cl

InChI

InChI=1S/C20H16BrClN4O2/c1-24-17-16(18(27)26(20(24)28)11-13-7-3-2-4-8-13)25(19(21)23-17)12-14-9-5-6-10-15(14)22/h2-10H,11-12H2,1H3