[2-(6-aminopurin-9-yl)ethoxymethyl-(4-methylpentanoyloxymethoxy)phosphinothioyl]oxymethyl 4-methylpentanoate

Systemtic Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(4-methylpentanoyloxymethoxy)phosphinothioyl]oxymethyl 4-methylpentanoate Openeye Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(4-methylpentanoyloxymethoxy)phosphinothioyl]oxymethyl 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-(6-aminopurin-9-yl)ethoxymethyl-[(4-methyl-1-oxopentoxy)methoxy]phosphinothioyl]oxymethyl ester IUPAC Name: [2-(6-aminopurin-9-yl)ethoxymethyl-(4-methylpentanoyloxymethoxy)phosphinothioyl]oxymethyl 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-adenin-9-ylethoxymethyl(4-methylpentanoyloxymethoxy)thiophosphoryl]oxymethyl ester Formula: C22H36N5O7PS MolecularWeight: 545.589301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCOP(=S)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)CCC(C)C

Isomeric SMILES

CC(C)CCC(=O)OCOP(=S)(COCCN1C=NC2=C1N=CN=C2N)OCOC(=O)CCC(C)C

InChI

InChI=1S/C22H36N5O7PS/c1-16(2)5-7-18(28)31-13-33-35(36,34-14-32-19(29)8-6-17(3)4)15-30-10-9-27-12-26-20-21(23)24-11-25-22(20)27/h11-12,16-17H,5-10,13-15H2,1-4H3,(H2,23,24,25)