[7-(2-cyclohexylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate

Systemtic Name: [7-(2-cyclohexylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate Openeye Name: [7-(2-cyclohexylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate CAS Name: N-methylcarbamodithioic acid [7-[2-(cyclohexylthio)ethyl]-6-(methylamino)-2-purinyl] ester IUPAC Name: [7-(2-cyclohexylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate Traditional Name: N-methylcarbamodithioic acid [7-[2-(cyclohexylthio)ethyl]-6-(methylamino)purin-2-yl] ester Formula: C16H24N6S3 MolecularWeight: 396.59696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N(C=N2)CCSC3CCCCC3)SC(=S)NC

Isomeric SMILES

CNC1=NC(=NC2=C1N(C=N2)CCSC3CCCCC3)SC(=S)NC

InChI

InChI=1S/C16H24N6S3/c1-17-13-12-14(21-15(20-13)25-16(23)18-2)19-10-22(12)8-9-24-11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3,(H,18,23)(H,17,20,21)