methyl N-[2-(cyanomethylsulfanyl)-7H-purin-8-yl]carbamate

Systemtic Name: methyl N-[2-(cyanomethylsulfanyl)-7H-purin-8-yl]carbamate Openeye Name: methyl N-[2-(cyanomethylsulfanyl)-7H-purin-8-yl]carbamate CAS Name: N-[2-(cyanomethylthio)-7H-purin-8-yl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(cyanomethylsulfanyl)-7H-purin-8-yl]carbamate Traditional Name: N-[2-(cyanomethylthio)-7H-purin-8-yl]carbamic acid methyl ester Formula: C9H8N6O2S MolecularWeight: 264.26382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC#N

Isomeric SMILES

COC(=O)NC1=NC2=NC(=NC=C2N1)SCC#N

InChI

InChI=1S/C9H8N6O2S/c1-17-9(16)15-7-12-5-4-11-8(18-3-2-10)14-6(5)13-7/h4H,3H2,1H3,(H2,11,12,13,14,15,16)