O-[2-(hydroxymethyl)-4-methylsulfanylcarbothioyloxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] methylsulfanylmethanethioate

Systemtic Name: O-[2-(hydroxymethyl)-4-methylsulfanylcarbothioyloxy-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-3-yl] methylsulfanylmethanethioate Openeye Name: O-[2-(hydroxymethyl)-4-methylsulfanylcarbothioyloxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-3-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[2-(hydroxymethyl)-4-[(methylthio)-sulfanylidenemethoxy]-5-(6-oxo-3H-purin-9-yl)-3-oxolanyl] ester IUPAC Name: O-[2-(hydroxymethyl)-4-methylsulfanylcarbothioyloxy-5-(6-oxo-3H-purin-9-yl)oxolan-3-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[5-(6-keto-3H-purin-9-yl)-2-methylol-4-(methylthio)carbothioyloxy-tetrahydrofuran-3-yl] ester Formula: C14H16N4O5S4 MolecularWeight: 448.56064

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)OC1C(OC(C1OC(=S)SC)N2C=NC3=C2NC=NC3=O)CO

Isomeric SMILES

CSC(=S)OC1C(OC(C1OC(=S)SC)N2C=NC3=C2NC=NC3=O)CO

InChI

InChI=1S/C14H16N4O5S4/c1-26-13(24)22-8-6(3-19)21-12(9(8)23-14(25)27-2)18-5-17-7-10(18)15-4-16-11(7)20/h4-6,8-9,12,19H,3H2,1-2H3,(H,15,16,20)