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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)NC(=O)N3C)CC

InChI

InChI=1S/C16H20N6O2/c1-5-8-21-12-13(20(4)16(24)18-14(12)23)17-15(21)22-11(7-3)9-10(6-2)19-22/h5,9H,1,6-8H2,2-4H3,(H,18,23,24)