1,3-dimethyl-7-[2-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[2-(5-methyl-1-phenyl-pyrazol-4-yl)carbonylpyrazolidin-1-yl]-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]-2-oxo-ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[2-[(5-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-1-pyrazolidinyl]-2-oxoethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-oxoethyl]purine-2,6-dione Traditional Name: 7-[2-keto-2-[2-(5-methyl-1-phenyl-pyrazole-4-carbonyl)pyrazolidin-1-yl]ethyl]-1,3-dimethyl-xanthine Formula: C23H24N8O4 MolecularWeight: 476.48786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCCN3C(=O)CN4C=NC5=C4C(=O)N(C(=O)N5C)C

InChI

InChI=1S/C23H24N8O4/c1-15-17(12-25-31(15)16-8-5-4-6-9-16)21(33)30-11-7-10-29(30)18(32)13-28-14-24-20-19(28)22(34)27(3)23(35)26(20)2/h4-6,8-9,12,14H,7,10-11,13H2,1-3H3