1-[(4-bromophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-ethyl-7-methyl-3-propyl-xanthine Formula: C18H21BrN4O2 MolecularWeight: 405.28894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Br)N(C(=N2)CC)C

InChI

InChI=1S/C18H21BrN4O2/c1-4-10-22-16-15(21(3)14(5-2)20-16)17(24)23(18(22)25)11-12-6-8-13(19)9-7-12/h6-9H,4-5,10-11H2,1-3H3