1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-dec-1-ynyl-pyrimidine-2,4-dione

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-dec-1-ynyl-pyrimidine-2,4-dione Openeye Name: 5-dec-1-ynyl-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione CAS Name: 5-dec-1-ynyl-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione IUPAC Name: 5-dec-1-ynyl-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione Traditional Name: 5-dec-1-ynyl-1-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrimidine-2,4-quinone Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CN(C(=O)NC1=O)COC(CO)CO

Isomeric SMILES

CCCCCCCCC#CC1=CN(C(=O)NC1=O)COC(CO)CO

InChI

InChI=1S/C18H28N2O5/c1-2-3-4-5-6-7-8-9-10-15-11-20(18(24)19-17(15)23)14-25-16(12-21)13-22/h11,16,21-22H,2-8,12-14H2,1H3,(H,19,23,24)