2-[1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal hydrochloride

Systemtic Name: 2-[1-(6-aminopurin-9-yl)-2-oxidanylidene-ethoxy]-3-oxidanyl-propanal hydrochloride Openeye Name: 2-[1-(6-aminopurin-9-yl)-2-oxo-ethoxy]-3-hydroxy-propanal hydrochloride CAS Name: 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-hydroxypropanal hydrochloride IUPAC Name: 2-[1-(6-aminopurin-9-yl)-2-oxoethoxy]-3-hydroxypropanal hydrochloride Traditional Name: 2-(1-adenin-9-yl-2-keto-ethoxy)-3-hydroxy-propionaldehyde hydrochloride Formula: C10H12ClN5O4 MolecularWeight: 301.68638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)N)N=CN2C(C=O)OC(CO)C=O.Cl

Isomeric SMILES

C1=NC2=C(C(=N1)N)N=CN2C(C=O)OC(CO)C=O.Cl

InChI

InChI=1S/C10H11N5O4.ClH/c11-9-8-10(13-4-12-9)15(5-14-8)7(3-18)19-6(1-16)2-17;/h1,3-7,17H,2H2,(H2,11,12,13);1H