2-(6-aminopurin-9-yl)-5-(diethoxyphosphinothioyloxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphinothioyloxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphinothioyloxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphinothioyloxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(diethoxyphosphinothioyloxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-(diethoxythiophosphoryloxymethyl)tetrahydrofuran-3,4-diol Formula: C14H22N5O6PS MolecularWeight: 419.393141

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=S)(OCC)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CCOP(=S)(OCC)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C14H22N5O6PS/c1-3-22-26(27,23-4-2)24-5-8-10(20)11(21)14(25-8)19-7-18-9-12(15)16-6-17-13(9)19/h6-8,10-11,14,20-21H,3-5H2,1-2H3,(H2,15,16,17)