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

Systemtic Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(3-bromophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methylpurine-2,6-dione Traditional Name: 7-(3-bromobenzyl)-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C18H17BrN6O2 MolecularWeight: 429.27058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN6O2/c1-10-7-11(2)25(22-10)17-20-15-14(16(26)21-18(27)23(15)3)24(17)9-12-5-4-6-13(19)8-12/h4-8H,9H2,1-3H3,(H,21,26,27)