8-(3,5-diethylpyrazol-1-yl)-3,7-dimethyl-1-(2-oxidanylidenepropyl)purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC(=O)C)CC

InChI

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