2-(3-methylbut-3-enyl)-7H-purin-6-amine; 3,4,6-tris(oxidanyl)-5-sulfanyl-oxane-2-carboxylic acid

Systemtic Name: 2-(3-methylbut-3-enyl)-7H-purin-6-amine; 3,4,6-tris(oxidanyl)-5-sulfanyl-oxane-2-carboxylic acid Openeye Name: 2-(3-methylbut-3-enyl)-7H-purin-6-amine; 3,4,6-trihydroxy-5-sulfanyl-tetrahydropyran-2-carboxylic acid CAS Name: 2-(3-methylbut-3-enyl)-7H-purin-6-amine; 3,4,6-trihydroxy-5-mercapto-2-oxanecarboxylic acid IUPAC Name: 2-(3-methylbut-3-enyl)-7H-purin-6-amine; 3,4,6-trihydroxy-5-sulfanyloxane-2-carboxylic acid Traditional Name: [2-(3-methylbut-3-enyl)-7H-purin-6-yl]amine; 3,4,6-trihydroxy-5-mercapto-tetrahydropyran-2-carboxylic acid Formula: C16H23N5O6S MolecularWeight: 413.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC1=NC2=C(C(=N1)N)NC=N2.C1(C(C(OC(C1S)O)C(=O)O)O)O

Isomeric SMILES

CC(=C)CCC1=NC2=C(C(=N1)N)NC=N2.C1(C(C(OC(C1S)O)C(=O)O)O)O

InChI

InChI=1S/C10H13N5.C6H10O6S/c1-6(2)3-4-7-14-9(11)8-10(15-7)13-5-12-8;7-1-2(8)4(13)6(11)12-3(1)5(9)10/h5H,1,3-4H2,2H3,(H3,11,12,13,14,15);1-4,6-8,11,13H,(H,9,10)