2-purin-7-yl-2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]ethanoic acid

Systemtic Name: 2-purin-7-yl-2-[2,2,2-tris(chloranyl)ethoxycarbonylamino]ethanoic acid Openeye Name: 2-purin-7-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid CAS Name: 2-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-2-(7-purinyl)acetic acid IUPAC Name: 2-purin-7-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid Traditional Name: 2-purin-7-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid Formula: C10H8Cl3N5O4 MolecularWeight: 368.56062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=NC=N1)N=CN2C(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

C1=C2C(=NC=N1)N=CN2C(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C10H8Cl3N5O4/c11-10(12,13)2-22-9(21)17-7(8(19)20)18-4-16-6-5(18)1-14-3-15-6/h1,3-4,7H,2H2,(H,17,21)(H,19,20)