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

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholinopropylamino)purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-[3-(4-morpholinyl)propylamino]purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-morpholin-4-ylpropylamino)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-1,3-dimethyl-8-(3-morpholinopropylamino)xanthine Formula: C21H27BrN6O3 MolecularWeight: 491.38148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCN3CCOCC3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C21H27BrN6O3/c1-25-18-17(19(29)26(2)21(25)30)28(14-15-5-3-6-16(22)13-15)20(24-18)23-7-4-8-27-9-11-31-12-10-27/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,23,24)