3-[(4-chlorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-9H-purine-6,8-dione

Systemtic Name: 3-[(4-chlorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-9H-purine-6,8-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-9H-purine-6,8-dione CAS Name: 3-[(4-chlorophenyl)methyl]-2-(3,5-dimethyl-1-pyrazolyl)-7-methyl-9H-purine-6,8-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-9H-purine-6,8-dione Traditional Name: 3-(4-chlorobenzyl)-2-(3,5-dimethylpyrazol-1-yl)-7-methyl-9H-purine-6,8-quinone Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=O)C3=C(N2CC4=CC=C(C=C4)Cl)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=O)C3=C(N2CC4=CC=C(C=C4)Cl)NC(=O)N3C)C

InChI

InChI=1S/C18H17ClN6O2/c1-10-8-11(2)25(22-10)17-21-16(26)14-15(20-18(27)23(14)3)24(17)9-12-4-6-13(19)7-5-12/h4-8H,9H2,1-3H3,(H,20,27)