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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1-(2,5-dimethylbenzyl)-8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C(N3C(C)C)N4C(=CC(=N4)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C3=C(N=C(N3C(C)C)N4C(=CC(=N4)C)C)N(C2=O)C

InChI

InChI=1S/C23H28N6O2/c1-13(2)28-19-20(24-22(28)29-17(6)11-16(5)25-29)26(7)23(31)27(21(19)30)12-18-10-14(3)8-9-15(18)4/h8-11,13H,12H2,1-7H3