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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C14H16N6O2 MolecularWeight: 300.31584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O2/c1-5-6-19-10-11(18(4)14(22)16-12(10)21)15-13(19)20-9(3)7-8(2)17-20/h5,7H,1,6H2,2-4H3,(H,16,21,22)