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

Systemtic Name: 7-[(2-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2-bromophenyl)methyl]-8-(3-ethoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(2-bromobenzyl)-8-(3-ethoxypropylamino)-1,3-dimethyl-xanthine Formula: C19H24BrN5O3 MolecularWeight: 450.32956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1CC3=CC=CC=C3Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOCCCNC1=NC2=C(N1CC3=CC=CC=C3Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H24BrN5O3/c1-4-28-11-7-10-21-18-22-16-15(17(26)24(3)19(27)23(16)2)25(18)12-13-8-5-6-9-14(13)20/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,21,22)