6-[6-azanyl-2-(3-methylbut-3-enyl)purin-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: 6-[6-azanyl-2-(3-methylbut-3-enyl)purin-3-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 6-[6-amino-2-(3-methylbut-3-enyl)purin-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[6-amino-2-(3-methylbut-3-enyl)-3-purinyl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: 6-[6-amino-2-(3-methylbut-3-enyl)purin-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: 6-[6-amino-2-(3-methylbut-3-enyl)purin-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C16H21N5O7 MolecularWeight: 395.36724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CCC1=NC(=C2C(=NC=N2)N1OC3C(C(C(C(O3)C(=O)O)O)O)O)N

Isomeric SMILES

CC(=C)CCC1=NC(=C2C(=NC=N2)N1OC3C(C(C(C(O3)C(=O)O)O)O)O)N

InChI

InChI=1S/C16H21N5O7/c1-6(2)3-4-7-20-13(17)8-14(19-5-18-8)21(7)28-16-11(24)9(22)10(23)12(27-16)15(25)26/h5,9-12,16,22-24H,1,3-4,17H2,2H3,(H,25,26)