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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(3,5-diethylpyrazol-1-yl)-1,3-dimethyl-xanthine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O2/c1-6-9-22-13-14(20(4)17(25)21(5)15(13)24)18-16(22)23-12(8-3)10-11(7-2)19-23/h6,10H,1,7-9H2,2-5H3