9-[(2-diethoxyphosphoryl-1,3-oxathiolan-5-yl)methyl]purin-6-amine

Systemtic Name: 9-[(2-diethoxyphosphoryl-1,3-oxathiolan-5-yl)methyl]purin-6-amine Openeye Name: 9-[(2-diethoxyphosphoryl-1,3-oxathiolan-5-yl)methyl]purin-6-amine CAS Name: 9-[(2-diethoxyphosphoryl-1,3-oxathiolan-5-yl)methyl]-6-purinamine IUPAC Name: 9-[(2-diethoxyphosphoryl-1,3-oxathiolan-5-yl)methyl]purin-6-amine Traditional Name: [9-[(2-diethoxyphosphoryl-1,3-oxathiolan-5-yl)methyl]purin-6-yl]amine Formula: C13H20N5O4PS MolecularWeight: 373.367761

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1OC(CS1)CN2C=NC3=C2N=CN=C3N)OCC

Isomeric SMILES

CCOP(=O)(C1OC(CS1)CN2C=NC3=C2N=CN=C3N)OCC

InChI

InChI=1S/C13H20N5O4PS/c1-3-20-23(19,21-4-2)13-22-9(6-24-13)5-18-8-17-10-11(14)15-7-16-12(10)18/h7-9,13H,3-6H2,1-2H3,(H2,14,15,16)