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

Systemtic Name: 6-chloranyl-9-[[(2R,5R)-2-diethoxyphosphoryl-1,3-oxathiolan-5-yl]methyl]purin-2-amine Openeye Name: 6-chloro-9-[[(2R,5R)-2-diethoxyphosphoryl-1,3-oxathiolan-5-yl]methyl]purin-2-amine CAS Name: 6-chloro-9-[[(2R,5R)-2-diethoxyphosphoryl-1,3-oxathiolan-5-yl]methyl]-2-purinamine IUPAC Name: 6-chloro-9-[[(2R,5R)-2-diethoxyphosphoryl-1,3-oxathiolan-5-yl]methyl]purin-2-amine Traditional Name: [6-chloro-9-[[(2R,5R)-2-diethoxyphosphoryl-1,3-oxathiolan-5-yl]methyl]purin-2-yl]amine Formula: C13H19ClN5O4PS MolecularWeight: 407.812821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1OC(CS1)CN2C=NC3=C2N=C(N=C3Cl)N)OCC

Isomeric SMILES

CCOP(=O)([C@H]1O[C@@H](CS1)CN2C=NC3=C2N=C(N=C3Cl)N)OCC

InChI

InChI=1S/C13H19ClN5O4PS/c1-3-21-24(20,22-4-2)13-23-8(6-25-13)5-19-7-16-9-10(14)17-12(15)18-11(9)19/h7-8,13H,3-6H2,1-2H3,(H2,15,17,18)/t8-,13-/m1/s1