N-[6-chloranyl-9-[1-(diethoxyphosphorylmethoxy)-3-oxidanyl-propan-2-yl]oxy-purin-2-yl]methanamide

Systemtic Name: N-[6-chloranyl-9-[1-(diethoxyphosphorylmethoxy)-3-oxidanyl-propan-2-yl]oxy-purin-2-yl]methanamide Openeye Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethoxymethyl)-2-hydroxy-ethoxy]purin-2-yl]formamide CAS Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethoxy)-3-hydroxypropan-2-yl]oxy-2-purinyl]formamide IUPAC Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethoxy)-3-hydroxypropan-2-yl]oxypurin-2-yl]formamide Traditional Name: N-[6-chloro-9-[1-(diethoxyphosphorylmethoxymethyl)-2-hydroxy-ethoxy]purin-2-yl]formamide Formula: C14H21ClN5O7P MolecularWeight: 437.772601

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(COCC(CO)ON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

Isomeric SMILES

CCOP(=O)(COCC(CO)ON1C=NC2=C1N=C(N=C2Cl)NC=O)OCC

InChI

InChI=1S/C14H21ClN5O7P/c1-3-25-28(23,26-4-2)9-24-6-10(5-21)27-20-7-16-11-12(15)18-14(17-8-22)19-13(11)20/h7-8,10,21H,3-6,9H2,1-2H3,(H,17,18,19,22)