[(3E)-3-[(6-aminopurin-9-yl)methylidene]-2,2-bis(hydroxymethyl)cyclopropyl]methanol

Systemtic Name: [(3E)-3-[(6-aminopurin-9-yl)methylidene]-2,2-bis(hydroxymethyl)cyclopropyl]methanol Openeye Name: [(3E)-3-[(6-aminopurin-9-yl)methylene]-2,2-bis(hydroxymethyl)cyclopropyl]methanol CAS Name: [(3E)-3-[(6-aminopurin-9-yl)methylidene]-2,2-bis(hydroxymethyl)cyclopropyl]methanol IUPAC Name: [(3E)-3-[(6-aminopurin-9-yl)methylidene]-2,2-bis(hydroxymethyl)cyclopropyl]methanol Traditional Name: [(3E)-3-(adenin-9-ylmethylene)-2,2-dimethylol-cyclopropyl]methanol Formula: C12H15N5O3 MolecularWeight: 277.2792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C=C3C(C3(CO)CO)CO

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2/C=C/3\C(C3(CO)CO)CO

InChI

InChI=1S/C12H15N5O3/c13-10-9-11(15-5-14-10)17(6-16-9)1-7-8(2-18)12(7,3-19)4-20/h1,5-6,8,18-20H,2-4H2,(H2,13,14,15)/b7-1+