5-(6-aminopurin-9-yl)-3-[(2-azanyl-4-methylsulfinyl-butanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-4-methylsulfinyl-butanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-4-methylsulfinyl-butanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(2-amino-4-methylsulfinyl-1-oxobutyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-4-methylsulfinylbutanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(2-amino-4-methylsulfinyl-butanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C15H21N7O6S MolecularWeight: 427.43554

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

Isomeric SMILES

CS(=O)CCC(C(=O)NC1C(C(OC1C(=O)O)N2C=NC3=C2N=CN=C3N)O)N

InChI

InChI=1S/C15H21N7O6S/c1-29(27)3-2-6(16)13(24)21-7-9(23)14(28-10(7)15(25)26)22-5-20-8-11(17)18-4-19-12(8)22/h4-7,9-10,14,23H,2-3,16H2,1H3,(H,21,24)(H,25,26)(H2,17,18,19)