7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-xanthine Formula: C19H19BrN6O2 MolecularWeight: 443.29716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC4=CC(=CC=C4)Br)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H19BrN6O2/c1-11-8-12(2)26(22-11)18-21-16-15(17(27)24(4)19(28)23(16)3)25(18)10-13-6-5-7-14(20)9-13/h5-9H,10H2,1-4H3