S-(9-nitrosopurin-6-yl) N-(2-chloroethyl)carbamothioate

Systemtic Name: S-(9-nitrosopurin-6-yl) N-(2-chloroethyl)carbamothioate Openeye Name: S-(9-nitrosopurin-6-yl) N-(2-chloroethyl)carbamothioate CAS Name: N-(2-chloroethyl)carbamothioic acid S-[(9-nitroso-6-purinyl)] ester IUPAC Name: S-(9-nitrosopurin-6-yl) N-(2-chloroethyl)carbamothioate Traditional Name: N-(2-chloroethyl)thiocarbamic acid S-(9-nitrosopurin-6-yl) ester Formula: C8H7ClN6O2S MolecularWeight: 286.69818

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(C(=N1)SC(=O)NCCCl)N=CN2N=O

Isomeric SMILES

C1=NC2=C(C(=N1)SC(=O)NCCCl)N=CN2N=O

InChI

InChI=1S/C8H7ClN6O2S/c9-1-2-10-8(16)18-7-5-6(11-3-12-7)15(14-17)4-13-5/h3-4H,1-2H2,(H,10,16)