5-dodec-1-ynyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione

Systemtic Name: 5-dodec-1-ynyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione Openeye Name: 5-dodec-1-ynyl-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione CAS Name: 5-dodec-1-ynyl-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione IUPAC Name: 5-dodec-1-ynyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione Traditional Name: 5-dodec-1-ynyl-1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)pyrimidine-2,4-quinone Formula: C21H32N2O5 MolecularWeight: 392.48918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

Isomeric SMILES

CCCCCCCCCCC#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O

InChI

InChI=1S/C21H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-14-23(21(27)22-20(16)26)19-13-17(25)18(15-24)28-19/h14,17-19,24-25H,2-10,13,15H2,1H3,(H,22,26,27)