8-chloranyl-7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[4-(3,5-dimethylpyrazol-1-yl)benzyl]-1,3-dimethyl-xanthine Formula: C19H19ClN6O2 MolecularWeight: 398.84616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)C

InChI

InChI=1S/C19H19ClN6O2/c1-11-9-12(2)26(22-11)14-7-5-13(6-8-14)10-25-15-16(21-18(25)20)23(3)19(28)24(4)17(15)27/h5-9H,10H2,1-4H3