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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

InChI

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