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

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2,5-dimethylbenzyl)-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O2/c1-12-7-8-13(2)16(9-12)11-26-19(28)17-18(25(6)21(26)29)22-20(24(17)5)27-15(4)10-14(3)23-27/h7-10H,11H2,1-6H3