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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(3-methoxypropylamino)-1,3-dimethyl-xanthine Formula: C18H22BrN5O3 MolecularWeight: 436.30298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=CC=C3)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H22BrN5O3/c1-22-15-14(16(25)23(2)18(22)26)24(11-12-6-4-7-13(19)10-12)17(21-15)20-8-5-9-27-3/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21)