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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(3-phenylpropyl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(3-phenylpropyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(3-phenylpropyl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-7-isopropyl-3-methyl-1-(3-phenylpropyl)xanthine Formula: C23H28N6O2 MolecularWeight: 420.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C(C)C)C(=O)N(C(=O)N3C)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C23H28N6O2/c1-15(2)28-19-20(24-22(28)29-17(4)14-16(3)25-29)26(5)23(31)27(21(19)30)13-9-12-18-10-7-6-8-11-18/h6-8,10-11,14-15H,9,12-13H2,1-5H3