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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC=C)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC=C)C

InChI

InChI=1S/C16H20N6O2/c1-6-8-21-14(23)12-13(19(5)16(21)24)17-15(20(12)7-2)22-11(4)9-10(3)18-22/h6,9H,1,7-8H2,2-5H3