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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC(=C)C)C(=O)NC(=O)N3C)C

InChI

InChI=1S/C15H18N6O2/c1-8(2)7-20-11-12(19(5)15(23)17-13(11)22)16-14(20)21-10(4)6-9(3)18-21/h6H,1,7H2,2-5H3,(H,17,22,23)