8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-1-prop-2-enyl-purine-2,6-dione

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-ethyl-3-methyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC=C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC=C)CC

InChI

InChI=1S/C18H24N6O2/c1-6-10-23-16(25)14-15(21(5)18(23)26)19-17(22(14)9-4)24-13(8-3)11-12(7-2)20-24/h6,11H,1,7-10H2,2-5H3