methyl N-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]carbamodithioate

Systemtic Name: methyl N-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]carbamodithioate Openeye Name: methyl N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]carbamodithioate CAS Name: N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]carbamodithioic acid methyl ester IUPAC Name: methyl N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]carbamodithioate Traditional Name: N-(5-adenin-9-yl-4-hydroxy-2-methylol-tetrahydrofuran-3-yl)carbamodithioic acid methyl ester Formula: C12H16N6O3S2 MolecularWeight: 356.42384

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=S)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO

Isomeric SMILES

CSC(=S)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO

InChI

InChI=1S/C12H16N6O3S2/c1-23-12(22)17-6-5(2-19)21-11(8(6)20)18-4-16-7-9(13)14-3-15-10(7)18/h3-6,8,11,19-20H,2H2,1H3,(H,17,22)(H2,13,14,15)