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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3/c1-9(2)22-13-14(18-16(22)23-11(4)7-10(3)19-23)20(6)17(26)21(15(13)25)8-12(5)24/h7,9H,8H2,1-6H3