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

Systemtic Name: [7-(2-ethylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate Openeye Name: [7-(2-ethylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate CAS Name: N-methylcarbamodithioic acid [7-[2-(ethylthio)ethyl]-6-(methylamino)-2-purinyl] ester IUPAC Name: [7-(2-ethylsulfanylethyl)-6-(methylamino)purin-2-yl] N-methylcarbamodithioate Traditional Name: N-methylcarbamodithioic acid [7-[2-(ethylthio)ethyl]-6-(methylamino)purin-2-yl] ester Formula: C12H18N6S3 MolecularWeight: 342.50652

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCN1C=NC2=C1C(=NC(=N2)SC(=S)NC)NC

Isomeric SMILES

CCSCCN1C=NC2=C1C(=NC(=N2)SC(=S)NC)NC

InChI

InChI=1S/C12H18N6S3/c1-4-20-6-5-18-7-15-10-8(18)9(13-2)16-11(17-10)21-12(19)14-3/h7H,4-6H2,1-3H3,(H,14,19)(H,13,16,17)