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

Systemtic Name: 6-[6-(3-methylbut-2-enylamino)purin-3-yl]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: 3,4,5-trihydroxy-6-[6-(3-methylbut-2-enylamino)purin-3-yl]tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-trihydroxy-6-[6-(3-methylbut-2-enylamino)-3-purinyl]-2-oxanecarboxylic acid IUPAC Name: 3,4,5-trihydroxy-6-[6-(3-methylbut-2-enylamino)purin-3-yl]oxane-2-carboxylic acid Traditional Name: 3,4,5-trihydroxy-6-[6-(3-methylbut-2-enylamino)purin-3-yl]tetrahydropyran-2-carboxylic acid Formula: C16H21N5O6 MolecularWeight: 379.36784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCNC1=C2C(=NC=N2)N(C=N1)C3C(C(C(C(O3)C(=O)O)O)O)O)C

Isomeric SMILES

CC(=CCNC1=C2C(=NC=N2)N(C=N1)C3C(C(C(C(O3)C(=O)O)O)O)O)C

InChI

InChI=1S/C16H21N5O6/c1-7(2)3-4-17-13-8-14(19-5-18-8)21(6-20-13)15-11(24)9(22)10(23)12(27-15)16(25)26/h3,5-6,9-12,15,17,22-24H,4H2,1-2H3,(H,25,26)