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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-8-(3,5-diethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC=CC=C4Cl)CC

InChI

InChI=1S/C21H23ClN6O2/c1-5-14-11-15(6-2)28(24-14)20-23-18-17(25(20)3)19(29)27(21(30)26(18)4)12-13-9-7-8-10-16(13)22/h7-11H,5-6,12H2,1-4H3