(5S)-5-(6-aminopurin-9-yl)-3,5-bis(hydroxymethyl)cyclopent-3-ene-1,2-diol

Systemtic Name: (5S)-5-(6-aminopurin-9-yl)-3,5-bis(hydroxymethyl)cyclopent-3-ene-1,2-diol Openeye Name: (5S)-5-(6-aminopurin-9-yl)-3,5-bis(hydroxymethyl)cyclopent-3-ene-1,2-diol CAS Name: (5S)-5-(6-aminopurin-9-yl)-3,5-bis(hydroxymethyl)cyclopent-3-ene-1,2-diol IUPAC Name: (5S)-5-(6-aminopurin-9-yl)-3,5-bis(hydroxymethyl)cyclopent-3-ene-1,2-diol Traditional Name: (5S)-5-adenin-9-yl-3,5-dimethylol-cyclopent-3-ene-1,2-diol Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(C(C1(CO)N2C=NC3=C2N=CN=C3N)O)O)CO

Isomeric SMILES

C1=C(C(C([C@]1(CO)N2C=NC3=C2N=CN=C3N)O)O)CO

InChI

InChI=1S/C12H15N5O4/c13-10-7-11(15-4-14-10)17(5-16-7)12(3-19)1-6(2-18)8(20)9(12)21/h1,4-5,8-9,18-21H,2-3H2,(H2,13,14,15)/t8?,9?,12-/m0/s1