8-bromanyl-7-[3-[(2,5-dimethylphenyl)amino]propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-7-[3-[(2,5-dimethylphenyl)amino]propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-bromo-7-[3-(2,5-dimethylanilino)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[3-(2,5-dimethylanilino)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[3-(2,5-dimethylanilino)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[3-(2,5-dimethylanilino)propyl]-3-methyl-xanthine Formula: C17H20BrN5O2 MolecularWeight: 406.277

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NCCCN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C17H20BrN5O2/c1-10-5-6-11(2)12(9-10)19-7-4-8-23-13-14(20-16(23)18)22(3)17(25)21-15(13)24/h5-6,9,19H,4,7-8H2,1-3H3,(H,21,24,25)