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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2/c1-9(2)8-21-12-13(19(5)16(24)20(6)14(12)23)17-15(21)22-11(4)7-10(3)18-22/h7H,1,8H2,2-6H3