7-[(2-bromophenyl)methyl]-8-chloranyl-3-methyl-1-propyl-purine-2,6-dione

Systemtic Name: 7-[(2-bromophenyl)methyl]-8-chloranyl-3-methyl-1-propyl-purine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-8-chloro-3-methyl-1-propyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-8-chloro-3-methyl-1-propylpurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-8-chloro-3-methyl-1-propylpurine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-8-chloro-3-methyl-1-propyl-xanthine Formula: C16H16BrClN4O2 MolecularWeight: 411.68084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Br)Cl)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3Br)Cl)N(C1=O)C

InChI

InChI=1S/C16H16BrClN4O2/c1-3-8-21-14(23)12-13(20(2)16(21)24)19-15(18)22(12)9-10-6-4-5-7-11(10)17/h4-7H,3,8-9H2,1-2H3