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

Systemtic Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 1-acetonyl-7-allyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-dimethyl-1-pyrazolyl)-3-methyl-1-(2-oxopropyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-dimethylpyrazol-1-yl)-3-methyl-1-(2-oxopropyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 1-acetonyl-7-allyl-8-(3,5-dimethylpyrazol-1-yl)-3-methyl-xanthine Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC(=O)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC3=C(N2CC=C)C(=O)N(C(=O)N3C)CC(=O)C)C

InChI

InChI=1S/C17H20N6O3/c1-6-7-21-13-14(18-16(21)23-11(3)8-10(2)19-23)20(5)17(26)22(15(13)25)9-12(4)24/h6,8H,1,7,9H2,2-5H3