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

Systemtic Name: 1-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-bromophenyl)methyl]-8-(3-ethoxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-bromobenzyl)-8-(3-ethoxypropylamino)-3,7-dimethyl-xanthine Formula: C19H24BrN5O3 MolecularWeight: 450.32956

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCOCCCNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H24BrN5O3/c1-4-28-11-5-10-21-18-22-16-15(23(18)2)17(26)25(19(27)24(16)3)12-13-6-8-14(20)9-7-13/h6-9H,4-5,10-12H2,1-3H3,(H,21,22)