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

Systemtic Name: 1-[(E)-but-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(E)-but-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(E)-but-2-enyl]-8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(E)-but-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[(E)-but-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)C)C)N(C1=O)C

Isomeric SMILES

C/C=C/CN1C(=O)C2=C(N=C(N2C)N3C(=CC(=N3)C)C)N(C1=O)C

InChI

InChI=1S/C16H20N6O2/c1-6-7-8-21-14(23)12-13(20(5)16(21)24)17-15(19(12)4)22-11(3)9-10(2)18-22/h6-7,9H,8H2,1-5H3/b7-6+