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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-[3-(1-imidazolyl)propylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(3-imidazol-1-ylpropylamino)-3-methyl-xanthine Formula: C19H20BrN7O2 MolecularWeight: 458.3118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C19H20BrN7O2/c1-25-16-15(17(28)24-19(25)29)27(11-13-4-2-5-14(20)10-13)18(23-16)22-6-3-8-26-9-7-21-12-26/h2,4-5,7,9-10,12H,3,6,8,11H2,1H3,(H,22,23)(H,24,28,29)