2-chloroethyl(7H-purin-6-yl)carbamic acid

Systemtic Name: 2-chloroethyl(7H-purin-6-yl)carbamic acid Openeye Name: 2-chloroethyl(7H-purin-6-yl)carbamic acid CAS Name: 2-chloroethyl(7H-purin-6-yl)carbamic acid IUPAC Name: 2-chloroethyl(7H-purin-6-yl)carbamic acid Traditional Name: 2-chloroethyl(7H-purin-6-yl)carbamic acid Formula: C8H8ClN5O2 MolecularWeight: 241.63442

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N(CCCl)C(=O)O

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N(CCCl)C(=O)O

InChI

InChI=1S/C8H8ClN5O2/c9-1-2-14(8(15)16)7-5-6(11-3-10-5)12-4-13-7/h3-4H,1-2H2,(H,15,16)(H,10,11,12,13)