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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-[(2-methylphenyl)methyl]-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-[(2-methylphenyl)methyl]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-[(2-methylphenyl)methyl]-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(2-methylbenzyl)xanthine Formula: C22H26N6O2 MolecularWeight: 406.48084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C(C)C)N4C(=CC(=N4)C)C)N(C2=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=O)C3=C(N=C(N3C(C)C)N4C(=CC(=N4)C)C)N(C2=O)C

InChI

InChI=1S/C22H26N6O2/c1-13(2)27-18-19(23-21(27)28-16(5)11-15(4)24-28)25(6)22(30)26(20(18)29)12-17-10-8-7-9-14(17)3/h7-11,13H,12H2,1-6H3