2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; prop-2-enoate

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; prop-2-enoate Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; prop-2-enoate CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 2-propenoate IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; prop-2-enoate Traditional Name: acrylate; 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one Formula: C11H14N5O5- MolecularWeight: 296.25936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)[O-].C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C=CC(=O)[O-].C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C8H11N5O3.C3H4O2/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;1-2-3(4)5/h3,14H,1-2,4H2,(H3,9,11,12,15);2H,1H2,(H,4,5)/p-1