2-(diethoxyphosphorylmethylsulfanyl)ethoxycarbonyl-(9-methoxypurin-2-yl)-bis[(2-methylpropan-2-yl)oxycarbonyl]azanium

Systemtic Name: 2-(diethoxyphosphorylmethylsulfanyl)ethoxycarbonyl-(9-methoxypurin-2-yl)-bis[(2-methylpropan-2-yl)oxycarbonyl]azanium Openeye Name: bis(tert-butoxycarbonyl)-[2-(diethoxyphosphorylmethylsulfanyl)ethoxycarbonyl]-(9-methoxypurin-2-yl)ammonium CAS Name: [2-(diethoxyphosphorylmethylthio)ethoxy-oxomethyl]-(9-methoxy-2-purinyl)-bis[(2-methylpropan-2-yl)oxy-oxomethyl]ammonium IUPAC Name: 2-(diethoxyphosphorylmethylsulfanyl)ethoxycarbonyl-(9-methoxypurin-2-yl)-bis[(2-methylpropan-2-yl)oxycarbonyl]azanium Traditional Name: bis(tert-butoxycarbonyl)-[2-(diethoxyphosphorylmethylthio)ethoxycarbonyl]-(9-methoxypurin-2-yl)ammonium Formula: C24H39N5O10PS+ MolecularWeight: 620.632721

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSCCOC(=O)[N+](C1=NC=C2C(=N1)N(C=N2)OC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOP(=O)(CSCCOC(=O)[N+](C1=NC=C2C(=N1)N(C=N2)OC)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C24H39N5O10PS/c1-10-36-40(33,37-11-2)16-41-13-12-35-20(30)29(21(31)38-23(3,4)5,22(32)39-24(6,7)8)19-25-14-17-18(27-19)28(34-9)15-26-17/h14-15H,10-13,16H2,1-9H3/q+1