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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-prop-2-enyl-purine-2,6-dione Openeye Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-prop-2-enylpurine-2,6-dione Traditional Name: 1-allyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C15H18N6O2 MolecularWeight: 314.34242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O2/c1-6-7-20-13(22)11-12(19(5)15(20)23)16-14(18(11)4)21-10(3)8-9(2)17-21/h6,8H,1,7H2,2-5H3