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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-1-(2-oxidanylidenepropyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 1-acetonyl-7-allyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-3-methyl-1-(2-oxopropyl)-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-1-(2-oxopropyl)-7-prop-2-enylpurine-2,6-dione Traditional Name: 1-acetonyl-7-allyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-xanthine Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N6O3/c1-6-9-23-15-16(22(5)19(28)24(17(15)27)11-12(4)26)20-18(23)25-14(8-3)10-13(7-2)21-25/h6,10H,1,7-9,11H2,2-5H3