[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-azanyl-4-methylsulfanyl-butanoate

Systemtic Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-azanyl-4-methylsulfanyl-butanoate Openeye Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 2-amino-4-methylsulfanyl-butanoate CAS Name: 2-amino-4-(methylthio)butanoic acid [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl] ester IUPAC Name: [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] 2-amino-4-methylsulfanylbutanoate Traditional Name: 2-amino-4-(methylthio)butyric acid (5-adenin-9-yl-2-methylol-tetrahydrofuran-3-yl) ester Formula: C15H22N6O4S MolecularWeight: 382.43798

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3N)N

Isomeric SMILES

CSCCC(C(=O)OC1CC(OC1CO)N2C=NC3=C2N=CN=C3N)N

InChI

InChI=1S/C15H22N6O4S/c1-26-3-2-8(16)15(23)25-9-4-11(24-10(9)5-22)21-7-20-12-13(17)18-6-19-14(12)21/h6-11,22H,2-5,16H2,1H3,(H2,17,18,19)