5-[[6-(3-methylbut-2-enylamino)-7H-purin-8-yl]oxy]-3,4-bis(oxidanyl)-6-sulfanyl-oxane-2-carboxylic acid

Systemtic Name: 5-[[6-(3-methylbut-2-enylamino)-7H-purin-8-yl]oxy]-3,4-bis(oxidanyl)-6-sulfanyl-oxane-2-carboxylic acid Openeye Name: 3,4-dihydroxy-5-[[6-(3-methylbut-2-enylamino)-7H-purin-8-yl]oxy]-6-sulfanyl-tetrahydropyran-2-carboxylic acid CAS Name: 3,4-dihydroxy-6-mercapto-5-[[6-(3-methylbut-2-enylamino)-7H-purin-8-yl]oxy]-2-oxanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[[6-(3-methylbut-2-enylamino)-7H-purin-8-yl]oxy]-6-sulfanyloxane-2-carboxylic acid Traditional Name: 3,4-dihydroxy-6-mercapto-5-[[6-(3-methylbut-2-enylamino)-7H-purin-8-yl]oxy]tetrahydropyran-2-carboxylic acid Formula: C16H21N5O6S MolecularWeight: 411.43284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=NC=NC2=C1NC(=N2)OC3C(C(C(OC3S)C(=O)O)O)O)C

Isomeric SMILES

CC(=CCNC1=NC=NC2=C1NC(=N2)OC3C(C(C(OC3S)C(=O)O)O)O)C

InChI

InChI=1S/C16H21N5O6S/c1-6(2)3-4-17-12-7-13(19-5-18-12)21-16(20-7)27-11-9(23)8(22)10(14(24)25)26-15(11)28/h3,5,8-11,15,22-23,28H,4H2,1-2H3,(H,24,25)(H2,17,18,19,20,21)