1-[(E)-but-2-enyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(E)-but-2-enyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(E)-but-2-enyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(E)-but-2-enyl]-8-(3,5-diethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(E)-but-2-enyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(E)-but-2-enyl]-8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C18H24N6O2 MolecularWeight: 356.42216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC=CC)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C/C=C/C)CC

InChI

InChI=1S/C18H24N6O2/c1-6-9-10-23-16(25)14-15(22(5)18(23)26)19-17(21(14)4)24-13(8-3)11-12(7-2)20-24/h6,9,11H,7-8,10H2,1-5H3/b9-6+