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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-dimethylpyrazol-1-yl)-3,7-dimethyl-xanthine Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O3/c1-8-6-9(2)21(17-8)14-16-12-11(18(14)4)13(23)20(7-10(3)22)15(24)19(12)5/h6H,7H2,1-5H3