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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-7-ethyl-3-methyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-diethylpyrazol-1-yl)-7-ethyl-3-methyl-xanthine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC(=O)C)CC

Isomeric SMILES

CCC1=CC(=NN1C2=NC3=C(N2CC)C(=O)N(C(=O)N3C)CC(=O)C)CC

InChI

InChI=1S/C18H24N6O3/c1-6-12-9-13(7-2)24(20-12)17-19-15-14(22(17)8-3)16(26)23(10-11(4)25)18(27)21(15)5/h9H,6-8,10H2,1-5H3