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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-propyl-purine-2,6-dione Openeye Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-oxopropyl)-7-propylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxopropyl)-7-propylpurine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-7-propyl-xanthine Formula: C17H22N6O3 MolecularWeight: 358.39498

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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(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-6-7-21-13-14(18-16(21)23-11(3)8-10(2)19-23)20(5)17(26)22(15(13)25)9-12(4)24/h8H,6-7,9H2,1-5H3