2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanylpropanoate hydrochloride

Systemtic Name: 2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethyl (2S)-2-azanylpropanoate hydrochloride Openeye Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-aminopropanoate hydrochloride CAS Name: (2S)-2-aminopropanoic acid 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl ester hydrochloride IUPAC Name: 2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-aminopropanoate hydrochloride Traditional Name: (2S)-2-aminopropionic acid 2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethyl ester hydrochloride Formula: C11H17ClN6O4 MolecularWeight: 332.74348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl

Isomeric SMILES

C[C@@H](C(=O)OCCOCN1C=NC2=C1NC(=NC2=O)N)N.Cl

InChI

InChI=1S/C11H16N6O4.ClH/c1-6(12)10(19)21-3-2-20-5-17-4-14-7-8(17)15-11(13)16-9(7)18;/h4,6H,2-3,5,12H2,1H3,(H3,13,15,16,18);1H/t6-;/m0./s1