[5-(6-aminopurin-9-yl)-3-bis(oxidanyl)phosphinothioyloxy-oxolan-2-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-3-bis(oxidanyl)phosphinothioyloxy-oxolan-2-yl]methyl 2,2-dimethylpropanoate Openeye Name: [5-(6-aminopurin-9-yl)-3-dihydroxyphosphinothioyloxy-tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-(6-aminopurin-9-yl)-3-dihydroxyphosphinothioyloxy-2-oxolanyl]methyl ester IUPAC Name: [5-(6-aminopurin-9-yl)-3-dihydroxyphosphinothioyloxyoxolan-2-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (5-adenin-9-yl-3-dihydroxythiophosphoryloxy-tetrahydrofuran-2-yl)methyl ester Formula: C15H22N5O6PS MolecularWeight: 431.403841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OP(=S)(O)O

Isomeric SMILES

CC(C)(C)C(=O)OCC1C(CC(O1)N2C=NC3=C2N=CN=C3N)OP(=S)(O)O

InChI

InChI=1S/C15H22N5O6PS/c1-15(2,3)14(21)24-5-9-8(26-27(22,23)28)4-10(25-9)20-7-19-11-12(16)17-6-18-13(11)20/h6-10H,4-5H2,1-3H3,(H2,16,17,18)(H2,22,23,28)