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

Systemtic Name: 7-[(E)-3-chloranylbut-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3,5-dimethyl-1-pyrazolyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(E)-3-chlorobut-2-enyl]-8-(3,5-dimethylpyrazol-1-yl)-1,3-dimethyl-xanthine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2C/C=C(\C)/Cl)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C16H19ClN6O2/c1-9(17)6-7-22-12-13(20(4)16(25)21(5)14(12)24)18-15(22)23-11(3)8-10(2)19-23/h6,8H,7H2,1-5H3/b9-6+