2-(6-aminopurin-9-yl)-5-(2-thiophen-2-ylethylperoxymethyl)oxolane-3,4-diol

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(2-thiophen-2-ylethylperoxymethyl)oxolane-3,4-diol Openeye Name: 2-(6-aminopurin-9-yl)-5-[2-(2-thienyl)ethylperoxymethyl]tetrahydrofuran-3,4-diol CAS Name: 2-(6-aminopurin-9-yl)-5-(2-thiophen-2-ylethyldioxymethyl)oxolane-3,4-diol IUPAC Name: 2-(6-aminopurin-9-yl)-5-(2-thiophen-2-ylethylperoxymethyl)oxolane-3,4-diol Traditional Name: 2-adenin-9-yl-5-[2-(2-thienyl)ethylperoxymethyl]tetrahydrofuran-3,4-diol Formula: C16H19N5O5S MolecularWeight: 393.41756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCOOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

Isomeric SMILES

C1=CSC(=C1)CCOOCC2C(C(C(O2)N3C=NC4=C3N=CN=C4N)O)O

InChI

InChI=1S/C16H19N5O5S/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(26-16)6-25-24-4-3-9-2-1-5-27-9/h1-2,5,7-8,10,12-13,16,22-23H,3-4,6H2,(H2,17,18,19)