8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-oxopropyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxopropyl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-(3-phenylpropyl)xanthine Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CCCC4=CC=CC=C4)C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C23H26N6O3/c1-15-13-16(2)29(25-15)22-24-20-19(21(31)28(14-17(3)30)23(32)26(20)4)27(22)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,13H,8,11-12,14H2,1-4H3