dimethyl 2-[2-[2-chloranyl-6-(methylamino)purin-9-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-chloranyl-6-(methylamino)purin-9-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-chloro-6-(methylamino)purin-9-yl]ethyl]propanedioate CAS Name: 2-[2-[2-chloro-6-(methylamino)-9-purinyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-chloro-6-(methylamino)purin-9-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-chloro-6-(methylamino)purin-9-yl]ethyl]malonic acid dimethyl ester Formula: C13H16ClN5O4 MolecularWeight: 341.75024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2CCC(C(=O)OC)C(=O)OC)Cl

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2CCC(C(=O)OC)C(=O)OC)Cl

InChI

InChI=1S/C13H16ClN5O4/c1-15-9-8-10(18-13(14)17-9)19(6-16-8)5-4-7(11(20)22-2)12(21)23-3/h6-7H,4-5H2,1-3H3,(H,15,17,18)