8-bromanyl-1,7-bis[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-1,7-bis[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-1,7-bis[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-1,7-bis[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-1,7-bis[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-1,7-bis(4-chlorobenzyl)-3-methyl-xanthine Formula: C20H15BrCl2N4O2 MolecularWeight: 494.1687

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)Br)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)Br)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H15BrCl2N4O2/c1-25-17-16(26(19(21)24-17)10-12-2-6-14(22)7-3-12)18(28)27(20(25)29)11-13-4-8-15(23)9-5-13/h2-9H,10-11H2,1H3