N-(4-isothiocyanatobutyl)-N-(6-methylsulfanylpurin-9-yl)ethanamide

Systemtic Name: N-(4-isothiocyanatobutyl)-N-(6-methylsulfanylpurin-9-yl)ethanamide Openeye Name: N-(4-isothiocyanatobutyl)-N-(6-methylsulfanylpurin-9-yl)acetamide CAS Name: N-(4-isothiocyanatobutyl)-N-[6-(methylthio)-9-purinyl]acetamide IUPAC Name: N-(4-isothiocyanatobutyl)-N-(6-methylsulfanylpurin-9-yl)acetamide Traditional Name: N-(4-isothiocyanatobutyl)-N-[6-(methylthio)purin-9-yl]acetamide Formula: C13H16N6OS2 MolecularWeight: 336.43574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCCN=C=S)N1C=NC2=C1N=CN=C2SC

Isomeric SMILES

CC(=O)N(CCCCN=C=S)N1C=NC2=C1N=CN=C2SC

InChI

InChI=1S/C13H16N6OS2/c1-10(20)18(6-4-3-5-14-9-21)19-8-17-11-12(19)15-7-16-13(11)22-2/h7-8H,3-6H2,1-2H3