8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylprop-2-enyl)-7-propyl-purine-2,6-dione

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylprop-2-enyl)-7-propyl-purine-2,6-dione Openeye Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylallyl)-7-propyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-methylprop-2-enyl)-7-propylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylprop-2-enyl)-7-propylpurine-2,6-dione Traditional Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-methylallyl)-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(=C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2/c1-7-8-22-14-15(19-17(22)24-13(5)9-12(4)20-24)21(6)18(26)23(16(14)25)10-11(2)3/h9H,2,7-8,10H2,1,3-6H3