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

Systemtic Name: 5-(6-aminopurin-9-yl)-3-[(2-azanyl-3-methylsulfinyl-propanoyl)amino]-4-oxidanyl-oxolane-2-carboxylic acid Openeye Name: 3-[(2-amino-3-methylsulfinyl-propanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 3-[(2-amino-3-methylsulfinyl-1-oxopropyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxy-2-oxolanecarboxylic acid IUPAC Name: 3-[(2-amino-3-methylsulfinylpropanoyl)amino]-5-(6-aminopurin-9-yl)-4-hydroxyoxolane-2-carboxylic acid Traditional Name: 5-adenin-9-yl-3-[(2-amino-3-methylsulfinyl-propanoyl)amino]-4-hydroxy-tetrahydrofuran-2-carboxylic acid Formula: C14H19N7O6S MolecularWeight: 413.40896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O6S/c1-28(26)2-5(15)12(23)20-6-8(22)13(27-9(6)14(24)25)21-4-19-7-10(16)17-3-18-11(7)21/h3-6,8-9,13,22H,2,15H2,1H3,(H,20,23)(H,24,25)(H2,16,17,18)