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

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-dodec-1-ynyl-pyrimidine-2,4-dione Openeye Name: 5-dodec-1-ynyl-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione CAS Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-dodec-1-ynylpyrimidine-2,4-dione IUPAC Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-dodec-1-ynylpyrimidine-2,4-dione Traditional Name: 5-dodec-1-ynyl-1-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrimidine-2,4-quinone Formula: C20H32N2O5 MolecularWeight: 380.47848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-22(20(26)21-19(17)25)16-27-18(14-23)15-24/h13,18,23-24H,2-10,14-16H2,1H3,(H,21,25,26)