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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(cyclopentylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(cyclopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(cyclopentylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(cyclopentylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(cyclopentylamino)-1,3-dimethyl-xanthine Formula: C19H22BrN5O2 MolecularWeight: 432.31428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H22BrN5O2/c1-23-16-15(17(26)24(2)19(23)27)25(11-12-6-5-7-13(20)10-12)18(22-16)21-14-8-3-4-9-14/h5-7,10,14H,3-4,8-9,11H2,1-2H3,(H,21,22)