S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate

Systemtic Name: S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate Openeye Name: S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate CAS Name: N-(2-chloroethyl)carbamothioic acid S-(7H-purin-6-yl) ester IUPAC Name: S-(7H-purin-6-yl) N-(2-chloroethyl)carbamothioate Traditional Name: N-(2-chloroethyl)thiocarbamic acid S-(7H-purin-6-yl) ester Formula: C8H8ClN5OS MolecularWeight: 257.70002

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)SC(=O)NCCCl

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)SC(=O)NCCCl

InChI

InChI=1S/C8H8ClN5OS/c9-1-2-10-8(15)16-7-5-6(12-3-11-5)13-4-14-7/h3-4H,1-2H2,(H,10,15)(H,11,12,13,14)