[5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl] thiocyanate

Systemtic Name: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl] thiocyanate Openeye Name: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)tetrahydrofuran-3-yl] thiocyanate CAS Name: thiocyanic acid [5-(6-aminopurin-9-yl)-4-(ethylthio)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-4-ethylsulfanyl-2-(hydroxymethyl)oxolan-3-yl] thiocyanate Traditional Name: thiocyanic acid [5-adenin-9-yl-4-(ethylthio)-2-methylol-tetrahydrofuran-3-yl] ester Formula: C13H16N6O2S2 MolecularWeight: 352.43514

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)SC#N

Isomeric SMILES

CCSC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)SC#N

InChI

InChI=1S/C13H16N6O2S2/c1-2-22-10-9(23-4-14)7(3-20)21-13(10)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20H,2-3H2,1H3,(H2,15,16,17)