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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC=C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC=C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

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