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

Systemtic Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-(3-phenylpropylamino)purine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-1,3-dimethyl-8-(3-phenylpropylamino)xanthine Formula: C23H24BrN5O2 MolecularWeight: 482.37296

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCC3=CC=CC=C3)CC4=CC(=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCC3=CC=CC=C3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN5O2/c1-27-20-19(21(30)28(2)23(27)31)29(15-17-10-6-12-18(24)14-17)22(26-20)25-13-7-11-16-8-4-3-5-9-16/h3-6,8-10,12,14H,7,11,13,15H2,1-2H3,(H,25,26)