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

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 7-[(4-bromophenyl)methyl]-8-(isobutylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-(4-bromobenzyl)-8-(isobutylamino)-1,3-dimethyl-xanthine Formula: C18H22BrN5O2 MolecularWeight: 420.30358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1CC3=CC=C(C=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H22BrN5O2/c1-11(2)9-20-17-21-15-14(16(25)23(4)18(26)22(15)3)24(17)10-12-5-7-13(19)8-6-12/h5-8,11H,9-10H2,1-4H3,(H,20,21)