2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-methylbenzenesulfonic acid Openeye Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol; 4-methylbenzenesulfonic acid CAS Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-methylbenzenesulfonic acid IUPAC Name: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-methylbenzenesulfonic acid Traditional Name: 2-adenin-9-yl-5-methylol-tetrahydrofuran-3,4-diol; tosylic acid Formula: C17H21N5O7S MolecularWeight: 439.44294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O

InChI

InChI=1S/C10H13N5O4.C7H8O3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);2-5H,1H3,(H,8,9,10)