7-[(3-bromophenyl)methyl]-8-(diethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(diethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(diethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(diethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(diethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(diethylamino)-3-methyl-xanthine Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC3=CC(=CC=C3)Br)C(=O)NC(=O)N2C

InChI

InChI=1S/C17H20BrN5O2/c1-4-22(5-2)16-19-14-13(15(24)20-17(25)21(14)3)23(16)10-11-7-6-8-12(18)9-11/h6-9H,4-5,10H2,1-3H3,(H,20,24,25)