2-[2-[[6-(diethylamino)-2-pentylsulfanyl-pyrimidin-4-yl]-methyl-amino]ethoxy]ethylphosphonic acid

Systemtic Name: 2-[2-[[6-(diethylamino)-2-pentylsulfanyl-pyrimidin-4-yl]-methyl-amino]ethoxy]ethylphosphonic acid Openeye Name: 2-[2-[[6-(diethylamino)-2-pentylsulfanyl-pyrimidin-4-yl]-methyl-amino]ethoxy]ethylphosphonic acid CAS Name: 2-[2-[[6-(diethylamino)-2-(pentylthio)-4-pyrimidinyl]-methylamino]ethoxy]ethylphosphonic acid IUPAC Name: 2-[2-[[6-(diethylamino)-2-pentylsulfanylpyrimidin-4-yl]-methylamino]ethoxy]ethylphosphonic acid Traditional Name: 2-[2-[[2-(amylthio)-6-(diethylamino)pyrimidin-4-yl]-methyl-amino]ethoxy]ethylphosphonic acid Formula: C18H35N4O4PS MolecularWeight: 434.533661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC(=CC(=N1)N(CC)CC)N(C)CCOCCP(=O)(O)O

Isomeric SMILES

CCCCCSC1=NC(=CC(=N1)N(CC)CC)N(C)CCOCCP(=O)(O)O

InChI

InChI=1S/C18H35N4O4PS/c1-5-8-9-14-28-18-19-16(15-17(20-18)22(6-2)7-3)21(4)10-11-26-12-13-27(23,24)25/h15H,5-14H2,1-4H3,(H2,23,24,25)