8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(phenylmethyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(phenylmethyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-xanthine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H24N6O2/c1-13(2)26-17-18(22-20(26)27-15(4)11-14(3)23-27)24(5)21(29)25(19(17)28)12-16-9-7-6-8-10-16/h6-11,13H,12H2,1-5H3