1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propyl-xanthine Formula: C21H23ClN6O2 MolecularWeight: 426.89932

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C21H23ClN6O2/c1-5-10-26-17-18(23-20(26)28-14(3)11-13(2)24-28)25(4)21(30)27(19(17)29)12-15-6-8-16(22)9-7-15/h6-9,11H,5,10,12H2,1-4H3