2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]-3-oxidanyl-purin-6-amine

Systemtic Name: 2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]-3-oxidanyl-purin-6-amine Openeye Name: 2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]-3-hydroxy-purin-6-amine CAS Name: 2-[2-(diethoxyphosphorylmethylthio)propoxy]-3-hydroxy-6-purinamine IUPAC Name: 2-[2-(diethoxyphosphorylmethylsulfanyl)propoxy]-3-hydroxypurin-6-amine Traditional Name: [2-[2-(diethoxyphosphorylmethylthio)propoxy]-3-hydroxy-purin-6-yl]amine Formula: C13H22N5O5PS MolecularWeight: 391.383041

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CSC(C)COC1=NC(=C2C(=NC=N2)N1O)N)OCC

Isomeric SMILES

CCOP(=O)(CSC(C)COC1=NC(=C2C(=NC=N2)N1O)N)OCC

InChI

InChI=1S/C13H22N5O5PS/c1-4-22-24(20,23-5-2)8-25-9(3)6-21-13-17-11(14)10-12(18(13)19)16-7-15-10/h7,9,19H,4-6,8,14H2,1-3H3