2-(6-oxidanylidene-3H-purin-9-yl)ethyl 4-chloranyl-4-oxidanylidene-butanoate hydrochloride

Systemtic Name: 2-(6-oxidanylidene-3H-purin-9-yl)ethyl 4-chloranyl-4-oxidanylidene-butanoate hydrochloride Openeye Name: 2-(6-oxo-3H-purin-9-yl)ethyl 4-chloro-4-oxo-butanoate hydrochloride CAS Name: 4-chloro-4-oxobutanoic acid 2-(6-oxo-3H-purin-9-yl)ethyl ester hydrochloride IUPAC Name: 2-(6-oxo-3H-purin-9-yl)ethyl 4-chloro-4-oxobutanoate hydrochloride Traditional Name: 4-chloro-4-keto-butyric acid 2-(6-keto-3H-purin-9-yl)ethyl ester hydrochloride Formula: C11H12Cl2N4O4 MolecularWeight: 335.14338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=O)C2=C(N1)N(C=N2)CCOC(=O)CCC(=O)Cl.Cl

Isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)CCOC(=O)CCC(=O)Cl.Cl

InChI

InChI=1S/C11H11ClN4O4.ClH/c12-7(17)1-2-8(18)20-4-3-16-6-15-9-10(16)13-5-14-11(9)19;/h5-6H,1-4H2,(H,13,14,19);1H