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

Systemtic Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-(2-methylprop-2-enyl)-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-(2-methylallyl)purine-2,6-dione CAS Name: 8-(3,5-diethyl-1-pyrazolyl)-3-methyl-7-(2-methylprop-2-enyl)-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-(2-methylprop-2-enyl)-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-8-(3,5-diethylpyrazol-1-yl)-3-methyl-7-(2-methylallyl)xanthine Formula: C20H26N6O3 MolecularWeight: 398.45884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O3/c1-7-14-9-15(8-2)26(22-14)19-21-17-16(24(19)10-12(3)4)18(28)25(11-13(5)27)20(29)23(17)6/h9H,3,7-8,10-11H2,1-2,4-6H3