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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC=CC)C

Isomeric SMILES

CCCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)C/C=C/C)C

InChI

InChI=1S/C18H24N6O2/c1-6-8-10-23-16(25)14-15(21(5)18(23)26)19-17(22(14)9-7-2)24-13(4)11-12(3)20-24/h6,8,11H,7,9-10H2,1-5H3/b8-6+