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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-7-ethyl-3-methyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1N3C(=CC(=N3)C)C)N(C(=O)N(C2=O)CC(=O)C)C

InChI

InChI=1S/C16H20N6O3/c1-6-20-12-13(17-15(20)22-10(3)7-9(2)18-22)19(5)16(25)21(14(12)24)8-11(4)23/h7H,6,8H2,1-5H3